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Pss-(2-(3-cyclohexen-1-YL)ethyl)heptacy&

HCID 4452238
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Basic information

CAS
307496-19-1
Standard SMILES
C1=CCC(CC[Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)CC1
InChIKey
KBSDLBVPAHQCRY-UHFFFAOYSA-N
Molecular formula
C43H76O12Si8
Average molar mass
1,009.7 g/mol
Monoisotopic mass
1,008.34909013

Names & identifiers

Preferred name
Pss-(2-(3-cyclohexen-1-YL)ethyl)heptacy&
IUPAC
1-(2-cyclohex-3-en-1-ylethyl)-3,5,7,9,11,13,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
English name
PSS-(2-(3-CYCLOHEXEN-1-YL)ETHYL)HEPTACY&
Molecular formula
C43H76O12Si8
Molecular weight
1009.74

Names & synonyms

307496-19-1PSS-(2-(3-CYCLOHEXEN-1-YL)ETHYL)HEPTACY&DTXSID604034321-(2-Cyclohex-3-en-1-ylethyl)-3,5,7,9,11,13,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane1-[2-(Cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.1~3,9~.1~5,15~.1~7,13~]octasiloxaneCyclohexenylethylpss-[2-(3-cyclohexen-1-yl)ethyl]-heptacyclopentyl substituted1-[2-(3-cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.13,9.15,15.17,13]octasiloxanePentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, 1-[2-(3-cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentyl-Cyclohexenylethyl-POSS(R), 1-[2-(3-Cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.13,9.15,15.17,13]octasiloxane

Database identifiers

CAS
307496-19-1
PubChem CID
4452238
DTXSID
DTXSID60403432

Properties

Computed structural properties

Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
63
Formal charge
0
Complexity
1,530

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Density
1.2 · 1.20±0.1 g/cm3(Predicted)
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3

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Compound notes

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