1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane

C18H32O — CID 19380354

IUPAC1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
SMILESC=CC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C18H32O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h3,15-18H,1,4-14H2,2H3
InChIKeyYWYADDNAIJMZBG-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.35
Rot. Bonds6

About 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane

1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane (PubChem CID 19380354) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
PubChem CID19380354
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
SMILESC=CC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C18H32O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h3,15-18H,1,4-14H2,2H3
InChIKeyYWYADDNAIJMZBG-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane (CID 19380354) is 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane is C=CC1CCC(CCC2CCC(OCC)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is YWYADDNAIJMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h3,15-18H,1,4-14H2,2H3.
What are the key properties of 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 19380354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).