1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane

C18H32O — CID 19380537

IUPAC1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC/C=C/C1CCC(CCC2CCC(OC)CC2)CC1
InChIInChI=1S/C18H32O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h3-4,15-18H,5-14H2,1-2H3/b4-3+
InChIKeyUGSIMCUXCNBIJD-ONEGZZNKSA-N
MW264.45 g/mol
LogP5.35
Rot. Bonds5

About 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane

1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 19380537) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
PubChem CID19380537
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC/C=C/C1CCC(CCC2CCC(OC)CC2)CC1
InChIInChI=1S/C18H32O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h3-4,15-18H,5-14H2,1-2H3/b4-3+
InChIKeyUGSIMCUXCNBIJD-ONEGZZNKSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane (CID 19380537) is 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane is C/C=C/C1CCC(CCC2CCC(OC)CC2)CC1.
What is the InChIKey of 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is UGSIMCUXCNBIJD-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H32O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h3-4,15-18H,5-14H2,1-2H3/b4-3+.
What are the key properties of 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane?
1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19380537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).