2,5-Dimethyl-5-hexen-3-ol

HCID 144264
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Basic information

CAS
19550-91-5
Standard SMILES
C=C(C)CC(O)C(C)C
InChIKey
LCBOFRBFVBROGF-UHFFFAOYSA-N
Molecular formula
C8H16O
Average molar mass
128.21 g/mol
Monoisotopic mass
128.12011513

Names & identifiers

Preferred name
2,5-Dimethyl-5-hexen-3-ol
IUPAC
2,5-dimethylhex-5-en-3-ol
English name
3,4-Dimethyl-5-hexen-3-ol
Molecular formula
C8H16O
Molecular weight
128.21

Names & synonyms

2,5-Dimethyl-5-hexen-3-ol67760-91-2RefChem:8295019550-91-5LCBOFRBFVBROGF-UHFFFAOYSA-N2,5-dimethylhex-5-en-3-ol2,5-dimethyl-5-hexene-3-olSCHEMBL2053054SCHEMBL8373106DTXSID10987090AKOS006275108DB-055063
Show more names
3,4-DIMETHYL-1-HEXEN-4-OL3,4-Dimethyl-5-hexen-3-ol5-Hexen-3-ol, 2,5-dimethyl-, (3S)-

Database identifiers

CAS
19550-91-5、67760-91-2
PubChem CID
144264
DTXSID
DTXSID10987090
Nikkaji
J718.883H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Boiling point
172.4 · 172.4±9.0 °C(Predicted)
Density
0.833 · 0.833±0.06 g/cm3(Predicted)
pka
14.85 · 14.85±0.20(Predicted)

Chemistry & industry

Suppliers4 total

Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
MPBIO-FINE—
3B Scientific Corporation[email protected]

Related reactions

2 records
New reaction record

Compound notes

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