1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene

C31H44F2 — CID 59950093

IUPAC1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene
SMILESCC(=CC1CCC(C=CC2CCC(CC=C(F)F)CC2)CC1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C31H44F2/c1-20(31-24(5)22(3)21(2)23(4)25(31)6)19-29-15-13-27(14-16-29)8-7-26-9-11-28(12-10-26)17-18-30(32)33/h7-8,18-19,26-29H,9-17H2,1-6H3
InChIKeyYSENZBAZIOCWPQ-UHFFFAOYSA-N
MW454.69 g/mol
LogP9.97
Rot. Bonds6

About 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene

1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 59950093) has the molecular formula C31H44F2 and a molecular weight of 454.69 g/mol. Its IUPAC name is 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene
PubChem CID59950093
Molecular FormulaC31H44F2
Molecular Weight454.69 g/mol
Exact Mass454.34
IUPAC Name1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene
SMILESCC(=CC1CCC(C=CC2CCC(CC=C(F)F)CC2)CC1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C31H44F2/c1-20(31-24(5)22(3)21(2)23(4)25(31)6)19-29-15-13-27(14-16-29)8-7-26-9-11-28(12-10-26)17-18-30(32)33/h7-8,18-19,26-29H,9-17H2,1-6H3
InChIKeyYSENZBAZIOCWPQ-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
Abietatriene
CID 6432211
Isorenieratene
CID 9984420
1-Methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
CID 576378
1-Phenyl-1-(2,4-xylyl)ethane
CID 93022
1,2-Xylene; 1,3-xylene; 1,4-xylene
CID 6850715
1,1'-Biphenyl, tris(1-methylethyl)-
CID 3034466
Renierapurpurin
CID 12560031
Dehydroabietane
CID 86869
Erogorgiaene
CID 9816893
(Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl
CID 20580010

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene (CID 59950093) is 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene is CC(=CC1CCC(C=CC2CCC(CC=C(F)F)CC2)CC1)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is YSENZBAZIOCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44F2/c1-20(31-24(5)22(3)21(2)23(4)25(31)6)19-29-15-13-27(14-16-29)8-7-26-9-11-28(12-10-26)17-18-30(32)33/h7-8,18-19,26-29H,9-17H2,1-6H3.
What are the key properties of 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene?
1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 454.69 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 59950093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).