CAS 307496-19-1|Cyclohexenylethyl-POSS®|PSS-[2-(3-环己烯)乙基]-七环戊基取代|1-[2-(3-Cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.13,9.15,15.17,13]octasiloxane|1-[2-(3-环...

General Information

Structure

Molecular Formula

C₄₃H₇₆O₁₂Si₈

Molecular Mass

1009.74034

Exact Mass

1008.34909013

Charge

InChI

InChI=1S/C43H76O12Si8/c1-2-18-36(19-3-1)34-35-56-44-57(37-20-4-5-21-37)47-60(40-26-10-11-27-40)49-58(45-56,38-22-6-7-23-38)51-62(42-30-14-15-31-42)52-59(46-56,39-24-8-9-25-39)50-61(48-57,41-28-12-13-29-41)54-63(53-60,55-62)43-32-16-17-33-43/h1-2,36-43H,3-35H2

InChIKey

KBSDLBVPAHQCRY-UHFFFAOYSA-N

Canonic Smiles

C1=CCC(CC1)CC[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1

Isomeric Smiles

C1CCC(C1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)CCC1CCC=CC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

13.5362

LogD (pH = 7.4)

13.5362

Log P

13.5362

Molar Refractivity

207.0938

Polarizability

102.202866

Polar Surface Area

110.76

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Cyclohexenylethyl-POSS®1-[2-(3-Cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.13,9.15,15.17,13]octasiloxanePSS-[2-(3-环己烯)乙基]-七环戊基取代1-[2-(3-环己烯-1-基)乙基]-3,5,7,9,11,13,15-七环戊基五环[9.5.13,9.15,15.17,13]八硅氧烷环己烯基乙基-POSS®PSS-[2-(3-Cyclohexen-1-yl)ethyl]-Heptacyclopentyl substituted

IUPAC Traditional name

1-[2-(cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.1³,⁹.1⁵,¹⁵.1⁷,¹³]octasiloxane

IUPAC name

1-[2-(cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.1³,⁹.1⁵,¹⁵.1⁷,¹³]octasiloxane

Names and Identifiers

Registration numbers

MDL Number

MFCD02093707

CAS Number

307496-19-1

PubChem SID

162229767