4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane

C32H45FOSi — CID 54732129

IUPAC4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
SMILESC=CCCC[SiH]1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C32H45FOSi/c1-3-5-6-21-35-22-19-26(20-23-35)8-7-25-9-11-27(12-10-25)28-13-15-29(16-14-28)30-17-18-32(34-4-2)31(33)24-30/h3,13-18,24-27,35H,1,4-12,19-23H2,2H3
InChIKeyKHVKFKCDHRTNFZ-UHFFFAOYSA-N
MW492.80 g/mol
LogP9.55
Rot. Bonds11

About 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane

4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane (PubChem CID 54732129) has the molecular formula C32H45FOSi and a molecular weight of 492.80 g/mol. Its IUPAC name is 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane.

Molecular Properties

Compound Name4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
PubChem CID54732129
Molecular FormulaC32H45FOSi
Molecular Weight492.80 g/mol
Exact Mass492.32
IUPAC Name4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
SMILESC=CCCC[SiH]1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C32H45FOSi/c1-3-5-6-21-35-22-19-26(20-23-35)8-7-25-9-11-27(12-10-25)28-13-15-29(16-14-28)30-17-18-32(34-4-2)31(33)24-30/h3,13-18,24-27,35H,1,4-12,19-23H2,2H3
InChIKeyKHVKFKCDHRTNFZ-UHFFFAOYSA-N
XLogP9.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 59.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459502
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]-1-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
CID 139983621
1-[[4-[4-(4-but-3-enylcyclohexyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 154607274
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-ethoxy-2-fluoro-4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 138459500
1-[4-[[4-(4-ethenylphenyl)cyclohexyl]methoxy]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607142
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
1-[4-[4-(4-but-3-enylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730547
1-[4-[4-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane?
The IUPAC name of 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane (CID 54732129) is 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane.
What is the SMILES notation for 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane?
The canonical SMILES for 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane is C=CCCC[SiH]1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane?
The InChIKey is KHVKFKCDHRTNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FOSi/c1-3-5-6-21-35-22-19-26(20-23-35)8-7-25-9-11-27(12-10-25)28-13-15-29(16-14-28)30-17-18-32(34-4-2)31(33)24-30/h3,13-18,24-27,35H,1,4-12,19-23H2,2H3.
What are the key properties of 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane?
4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane has a molecular weight of 492.80 g/mol, XLogP of 9.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane is sourced from PubChem (CID 54732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).