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

C19H34O — CID 19380355

IUPAC1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
SMILESC=CC1CCC(CCC2CCC(OCCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(4-2)6-8-17/h4,16-19H,2-3,5-15H2,1H3
InChIKeyTWOZFRZHKCVSMZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.74
Rot. Bonds7

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

1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane (PubChem CID 19380355) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
PubChem CID19380355
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
SMILESC=CC1CCC(CCC2CCC(OCCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(4-2)6-8-17/h4,16-19H,2-3,5-15H2,1H3
InChIKeyTWOZFRZHKCVSMZ-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
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-propoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane (CID 19380355) is 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane is C=CC1CCC(CCC2CCC(OCCC)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is TWOZFRZHKCVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(4-2)6-8-17/h4,16-19H,2-3,5-15H2,1H3.
What are the key properties of 1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
1-ethenyl-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 278.48 g/mol, XLogP of 5.74, 7 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-propoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 19380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).