1-ethyl-4-(4-pentylcyclohexyl)cyclohexane

C19H36 — CID 22141815

IUPAC1-ethyl-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H36/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h16-19H,3-15H2,1-2H3
InChIKeyHKQSPACRMWYANG-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.59
Rot. Bonds6

About 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane

1-ethyl-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 22141815) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID22141815
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-ethyl-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H36/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h16-19H,3-15H2,1-2H3
InChIKeyHKQSPACRMWYANG-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane (CID 22141815) is 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is HKQSPACRMWYANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane?
1-ethyl-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 22141815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).