4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene

C20H36 — CID 153333927

IUPAC4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
SMILESCC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3
InChIKeyZQJLXQPKPNRKNQ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.61
Rot. Bonds5

About 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene

4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene (PubChem CID 153333927) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
PubChem CID153333927
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
SMILESCC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3
InChIKeyZQJLXQPKPNRKNQ-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.61
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

3,4-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]hexan-2-ol;ethane
CID 142421435
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
4-(4-heptan-3-ylcyclohexyl)-1-[1-[1-[4-(4-heptan-3-ylcyclohexyl)cyclohexen-1-yl]-2-methylpropoxy]-2-methylpropyl]cyclohexene
CID 139803578
3-(4-methylcyclohexen-1-yl)butanal
CID 87256380
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
1-[3,4-difluoro-5-(4-methylcyclohexen-1-yl)hexan-2-yl]-4-methylcyclohexene
CID 144864515
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663
1-pentan-2-ylcyclobutene
CID 123526137
1-pentan-2-ylcyclopentene
CID 21242449

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The IUPAC name of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene (CID 153333927) is 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene.
What is the SMILES notation for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The canonical SMILES for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene is CC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The InChIKey is ZQJLXQPKPNRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3.
What are the key properties of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene has a molecular weight of 276.51 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene is sourced from PubChem (CID 153333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).