4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol

C23H31F9O — CID 23591066

IUPAC4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESOC(CC(C/C=C/C1CCC(C2CCCCC2)CC1)CC(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H31F9O/c24-19(20(25)26)13-16(14-21(33,22(27,28)29)23(30,31)32)6-4-5-15-9-11-18(12-10-15)17-7-2-1-3-8-17/h4-5,15-18,33H,1-3,6-14H2/b5-4+
InChIKeyDSHMDNDEQSGLII-SNAWJCMRSA-N
MW494.48 g/mol
LogP8.65
Rot. Bonds8

About 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol

4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 23591066) has the molecular formula C23H31F9O and a molecular weight of 494.48 g/mol. Its IUPAC name is 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID23591066
Molecular FormulaC23H31F9O
Molecular Weight494.48 g/mol
Exact Mass494.22
IUPAC Name4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESOC(CC(C/C=C/C1CCC(C2CCCCC2)CC1)CC(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H31F9O/c24-19(20(25)26)13-16(14-21(33,22(27,28)29)23(30,31)32)6-4-5-15-9-11-18(12-10-15)17-7-2-1-3-8-17/h4-5,15-18,33H,1-3,6-14H2/b5-4+
InChIKeyDSHMDNDEQSGLII-SNAWJCMRSA-N
XLogP8.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol (CID 23591066) is 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol.
What is the SMILES notation for 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol is OC(CC(C/C=C/C1CCC(C2CCCCC2)CC1)CC(F)=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is DSHMDNDEQSGLII-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H31F9O/c24-19(20(25)26)13-16(14-21(33,22(27,28)29)23(30,31)32)6-4-5-15-9-11-18(12-10-15)17-7-2-1-3-8-17/h4-5,15-18,33H,1-3,6-14H2/b5-4+.
What are the key properties of 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 494.48 g/mol, XLogP of 8.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 23591066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).