4-(4-ethoxycyclohexyl)-1-pentylcyclohexene

C19H34O — CID 543961

IUPAC4-(4-ethoxycyclohexyl)-1-pentylcyclohexene
SMILESCCCCCC1=CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h8,17-19H,3-7,9-15H2,1-2H3
InChIKeyAHHVCHOKNVGVQK-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.89
Rot. Bonds7

About 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene

4-(4-ethoxycyclohexyl)-1-pentylcyclohexene (PubChem CID 543961) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene.

Molecular Properties

Compound Name4-(4-ethoxycyclohexyl)-1-pentylcyclohexene
PubChem CID543961
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-(4-ethoxycyclohexyl)-1-pentylcyclohexene
SMILESCCCCCC1=CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h8,17-19H,3-7,9-15H2,1-2H3
InChIKeyAHHVCHOKNVGVQK-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene?
The IUPAC name of 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene (CID 543961) is 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene.
What is the SMILES notation for 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene?
The canonical SMILES for 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene is CCCCCC1=CCC(C2CCC(OCC)CC2)CC1.
What is the InChIKey of 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene?
The InChIKey is AHHVCHOKNVGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h8,17-19H,3-7,9-15H2,1-2H3.
What are the key properties of 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene?
4-(4-ethoxycyclohexyl)-1-pentylcyclohexene has a molecular weight of 278.48 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxycyclohexyl)-1-pentylcyclohexene is sourced from PubChem (CID 543961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).