1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane

C23H44O — CID 18597150

IUPAC1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCCCCCC1(OC)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H44O/c1-4-6-7-8-9-17-23(24-3)18-15-22(16-19-23)21-13-11-20(10-5-2)12-14-21/h20-22H,4-19H2,1-3H3
InChIKeyCFWJTTCZUYMKQR-UHFFFAOYSA-N
MW336.60 g/mol
LogP7.53
Rot. Bonds10

About 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane

1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18597150) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18597150
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCCCCCC1(OC)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H44O/c1-4-6-7-8-9-17-23(24-3)18-15-22(16-19-23)21-13-11-20(10-5-2)12-14-21/h20-22H,4-19H2,1-3H3
InChIKeyCFWJTTCZUYMKQR-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
CID 18597105
methyl [1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70489361
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 19819398
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
1-methylsulfonyl-1-pentyl-4-(4-propylcyclohexyl)cyclohexane
CID 70488661
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane (CID 18597150) is 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane is CCCCCCCC1(OC)CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is CFWJTTCZUYMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O/c1-4-6-7-8-9-17-23(24-3)18-15-22(16-19-23)21-13-11-20(10-5-2)12-14-21/h20-22H,4-19H2,1-3H3.
What are the key properties of 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 336.60 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18597150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).