8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene

HCID 3697076CAS 680596-79-6

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Basic information

Standard SMILES: CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C
InChIKey: JCHWHOHZZYWUMP-UHFFFAOYSA-N
Molecular formula: C14H23BO4
Average molar mass: 266.14 g/mol
Monoisotopic mass: 266.16893962

Overview

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Names & identifiers

Preferred name: 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
IUPAC: 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: 1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid, pinacol ester
Molecular formula: C14H23BO4
Molecular weight: 266.14

Names & synonyms

8-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,4-DIOXASPIRO[4.5]DEC-7-ENEDTXSID603951868-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-eneRefChem:1074619DTXCID90346045680596-79-64,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid pinacol esterMFCD041156561,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Show more names

1,4-Dioxa-Spiro[4,5]Dec-7-En-8-Boronic Acid PinacoL1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PICOL ESTER(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)BORONIC ACID PINACOL ESTER1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester 09011,4- dioxo spiro [4,5] decan -7- ene -8- borate pinacol ester8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspi...

2-{1,4-dioxaspiro[4.5]dec-7-en-8-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,4-Dioxaspiro[4.5]-7-decene-8-boronic Acid Pinacol EsterAC-24256T35661,4-Dioxaspiro[4.5]dec-7-en-8-boronic acid pinacol ester2-[1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Database identifiers

CAS: 680596-79-6
PubChem CID: 3697076
DTXSID: DTXSID60395186

Properties

Computed structural properties

Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 380

Physicochemical properties

Melting point: 60 · 60-62°C
Boiling point: 313.9 · 313.9±52.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Orange to Green
InChI: InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3
InChIKey: JCHWHOHZZYWUMP-UHFFFAOYSA-N
SMILES: O1C2(CCC(B3OC(C)(C)C(C)(C)O3)=CC2)OCC1
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 2932990090 · 2932990090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral