1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane

C30H52 — CID 140768738

IUPAC1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane
SMILESCCCC1CCC(C2CCC(=C3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H52/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h23-28H,3-22H2,1-2H3/b30-29-
InChIKeyMOJMYLDMTTWDBI-FLWNBWAVSA-N
MW412.75 g/mol
LogP9.88
Rot. Bonds6

About 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane

1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane (PubChem CID 140768738) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane
PubChem CID140768738
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane
SMILESCCCC1CCC(C2CCC(=C3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H52/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h23-28H,3-22H2,1-2H3/b30-29-
InChIKeyMOJMYLDMTTWDBI-FLWNBWAVSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Olean-13(18)-ene
CID 13857720
2-Isopropylideneadamantane
CID 11095171
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene
CID 609508
Tetracyclohexylethene
CID 9975579
Cyclohexane, 1,1'-(cyclohexylidenemethylene)bis-
CID 10879841
6-[4-(Fluoromethyl)cyclohexyl]-1-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene
CID 70797435
2,3-Difluoro-1-(4-pentan-2-ylidenecyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 90437332
(3S)-3-[4-[(4S)-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluoro-6-(2-methylbutyl)cyclohexene
CID 90437526
(3S,6R)-3-cyclohexyl-1,2-difluoro-6-[4-[2-[(4S)-3-fluoro-4-methylcyclohexyl]ethyl]cyclohexyl]cyclohexene
CID 90437553
1-[(Z)-1,3-difluoroprop-1-enyl]-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
CID 117948612
4-[4-(4-Ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane
CID 123882449
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane
CID 139677435

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane?
The IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane (CID 140768738) is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane is CCCC1CCC(C2CCC(=C3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane?
The InChIKey is MOJMYLDMTTWDBI-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H52/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h23-28H,3-22H2,1-2H3/b30-29-.
What are the key properties of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane?
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane has a molecular weight of 412.75 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexylidene]cyclohexane is sourced from PubChem (CID 140768738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).