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

C27H42F2Si — CID 22375132

IUPAC4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane
SMILESCCCCC[Si]1(C)CCC(C2CCC(CCc3ccc(/C(F)=C/F)cc3)CC2)CC1
InChIInChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-25(17-20-30)24-12-8-22(9-13-24)6-7-23-10-14-26(15-11-23)27(29)21-28/h10-11,14-15,21-22,24-25H,3-9,12-13,16-20H2,1-2H3/b27-21-
InChIKeyZSQXPNOPQKGZQB-MEFGMAGPSA-N
MW432.72 g/mol
LogP9.34
Rot. Bonds9

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

4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane (PubChem CID 22375132) has the molecular formula C27H42F2Si and a molecular weight of 432.72 g/mol. Its IUPAC name is 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane
PubChem CID22375132
Molecular FormulaC27H42F2Si
Molecular Weight432.72 g/mol
Exact Mass432.30
IUPAC Name4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane
SMILESCCCCC[Si]1(C)CCC(C2CCC(CCc3ccc(/C(F)=C/F)cc3)CC2)CC1
InChIInChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-25(17-20-30)24-12-8-22(9-13-24)6-7-23-10-14-26(15-11-23)27(29)21-28/h10-11,14-15,21-22,24-25H,3-9,12-13,16-20H2,1-2H3/b27-21-
InChIKeyZSQXPNOPQKGZQB-MEFGMAGPSA-N
XLogP9.34
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 ≤ 59.34
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane?
The IUPAC name of 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane (CID 22375132) is 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane.
What is the SMILES notation for 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane?
The canonical SMILES for 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane is CCCCC[Si]1(C)CCC(C2CCC(CCc3ccc(/C(F)=C/F)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane?
The InChIKey is ZSQXPNOPQKGZQB-MEFGMAGPSA-N. The full InChI is InChI=1S/C27H42F2Si/c1-3-4-5-18-30(2)19-16-25(17-20-30)24-12-8-22(9-13-24)6-7-23-10-14-26(15-11-23)27(29)21-28/h10-11,14-15,21-22,24-25H,3-9,12-13,16-20H2,1-2H3/b27-21-.
What are the key properties of 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane?
4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane has a molecular weight of 432.72 g/mol, XLogP of 9.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[(Z)-1,2-difluoroethenyl]phenyl]ethyl]cyclohexyl]-1-methyl-1-pentylsilinane is sourced from PubChem (CID 22375132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).