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

C19H36O — CID 559127

IUPAC1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h16-19H,3-15H2,1-2H3
InChIKeyAOAFANKMISPOFY-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.97
Rot. Bonds7

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

1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 559127) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID559127
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h16-19H,3-15H2,1-2H3
InChIKeyAOAFANKMISPOFY-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.97
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane (CID 559127) is 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(OCC)CC2)CC1.
What is the InChIKey of 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is AOAFANKMISPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane?
1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 280.50 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 559127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).