1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane

C26H42F2OSi — CID 54323999

IUPAC1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
SMILESCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C26H42F2OSi/c1-2-3-18-30-19-16-24(17-20-30)23-12-8-21(9-13-23)6-4-5-7-22-10-14-25(15-11-22)29-26(27)28/h10-11,14-15,21,23-24,26,30H,2-9,12-13,16-20H2,1H3
InChIKeySTPYYFUJYNQCOJ-UHFFFAOYSA-N
MW436.70 g/mol
LogP8.24
Rot. Bonds11

About 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane

1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane (PubChem CID 54323999) has the molecular formula C26H42F2OSi and a molecular weight of 436.70 g/mol. Its IUPAC name is 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane.

Molecular Properties

Compound Name1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
PubChem CID54323999
Molecular FormulaC26H42F2OSi
Molecular Weight436.70 g/mol
Exact Mass436.30
IUPAC Name1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
SMILESCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C26H42F2OSi/c1-2-3-18-30-19-16-24(17-20-30)23-12-8-21(9-13-23)6-4-5-7-22-10-14-25(15-11-22)29-26(27)28/h10-11,14-15,21,23-24,26,30H,2-9,12-13,16-20H2,1H3
InChIKeySTPYYFUJYNQCOJ-UHFFFAOYSA-N
XLogP8.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.70
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54226903
4-[4-[4-[4-(2-fluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54304468
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
1-(difluoromethoxy)-4-[difluoro-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]methoxy]benzene
CID 70177031
4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
CID 54194428
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-heptylcyclohexyl)ethyl]pyrimidine
CID 19436252
2-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870011
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane?
The IUPAC name of 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane (CID 54323999) is 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane.
What is the SMILES notation for 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane?
The canonical SMILES for 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane is CCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OC(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane?
The InChIKey is STPYYFUJYNQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F2OSi/c1-2-3-18-30-19-16-24(17-20-30)23-12-8-21(9-13-23)6-4-5-7-22-10-14-25(15-11-22)29-26(27)28/h10-11,14-15,21,23-24,26,30H,2-9,12-13,16-20H2,1H3.
What are the key properties of 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane?
1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane has a molecular weight of 436.70 g/mol, XLogP of 8.24, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane is sourced from PubChem (CID 54323999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).