[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene

C22H34 — CID 139782194

IUPAC[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(C)(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-7-18-10-12-19(13-11-18)20-14-16-22(2,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20H,3,7,10-17H2,1-2H3
InChIKeyUKESIUQRBQSVKF-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.74
Rot. Bonds4

About [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene

[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 139782194) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID139782194
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(C)(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-7-18-10-12-19(13-11-18)20-14-16-22(2,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20H,3,7,10-17H2,1-2H3
InChIKeyUKESIUQRBQSVKF-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 139782194) is [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(C)(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is UKESIUQRBQSVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-7-18-10-12-19(13-11-18)20-14-16-22(2,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20H,3,7,10-17H2,1-2H3.
What are the key properties of [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene?
[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 298.51 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139782194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).