1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane

C24H46O — CID 18597105

IUPAC1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CCCCC)(OCC)CC2)CC1
InChIInChI=1S/C24H46O/c1-4-7-9-11-21-12-14-22(15-13-21)23-16-19-24(20-17-23,25-6-3)18-10-8-5-2/h21-23H,4-20H2,1-3H3
InChIKeyOHVAWCLHFVQJOH-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.92
Rot. Bonds11

About 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane

1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 18597105) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID18597105
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CCCCC)(OCC)CC2)CC1
InChIInChI=1S/C24H46O/c1-4-7-9-11-21-12-14-22(15-13-21)23-16-19-24(20-17-23,25-6-3)18-10-8-5-2/h21-23H,4-20H2,1-3H3
InChIKeyOHVAWCLHFVQJOH-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.92
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-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 18597150
methyl [1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70489361
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
4-(4-decylcyclohexyl)-1-heptylcyclohexane-1-carbonitrile
CID 18596832

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane (CID 18597105) is 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(CCCCC)(OCC)CC2)CC1.
What is the InChIKey of 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is OHVAWCLHFVQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-4-7-9-11-21-12-14-22(15-13-21)23-16-19-24(20-17-23,25-6-3)18-10-8-5-2/h21-23H,4-20H2,1-3H3.
What are the key properties of 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane?
1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 350.63 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 18597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).