4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane

C27H42F2Si — CID 18935830

IUPAC4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane
SMILESCCCCC[Si]1(C)CCC(CCC2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-23(17-20-30)7-6-22-8-12-25(13-9-22)26-14-10-24(11-15-26)21-27(28)29/h10-11,14-15,21-23,25H,3-9,12-13,16-20H2,1-2H3
InChIKeyOTQTZMXNQGDOSN-UHFFFAOYSA-N
MW432.72 g/mol
LogP9.66
Rot. Bonds9

About 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane

4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane (PubChem CID 18935830) has the molecular formula C27H42F2Si and a molecular weight of 432.72 g/mol. Its IUPAC name is 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane.

Molecular Properties

Compound Name4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane
PubChem CID18935830
Molecular FormulaC27H42F2Si
Molecular Weight432.72 g/mol
Exact Mass432.30
IUPAC Name4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane
SMILESCCCCC[Si]1(C)CCC(CCC2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-23(17-20-30)7-6-22-8-12-25(13-9-22)26-14-10-24(11-15-26)21-27(28)29/h10-11,14-15,21-23,25H,3-9,12-13,16-20H2,1-2H3
InChIKeyOTQTZMXNQGDOSN-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
CID 19842847
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene
CID 19842688
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane?
The IUPAC name of 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane (CID 18935830) is 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane.
What is the SMILES notation for 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane?
The canonical SMILES for 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane is CCCCC[Si]1(C)CCC(CCC2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane?
The InChIKey is OTQTZMXNQGDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-23(17-20-30)7-6-22-8-12-25(13-9-22)26-14-10-24(11-15-26)21-27(28)29/h10-11,14-15,21-23,25H,3-9,12-13,16-20H2,1-2H3.
What are the key properties of 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane?
4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane has a molecular weight of 432.72 g/mol, XLogP of 9.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane is sourced from PubChem (CID 18935830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).