(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene

C13H18O — CID 21351131

IUPAC(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1\CCCC(/C=C/C)=C1OC
InChIInChI=1S/C13H18O/c1-4-7-11-9-6-10-12(8-5-2)13(11)14-3/h4-5,7-8H,1,6,9-10H2,2-3H3/b8-5+,11-7+
InChIKeyYMJNEEOCVYBQDW-FBSVACHXSA-N
MW190.29 g/mol
LogP3.76
Rot. Bonds3

About (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene

(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene (PubChem CID 21351131) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Name(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
PubChem CID21351131
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1\CCCC(/C=C/C)=C1OC
InChIInChI=1S/C13H18O/c1-4-7-11-9-6-10-12(8-5-2)13(11)14-3/h4-5,7-8H,1,6,9-10H2,2-3H3/b8-5+,11-7+
InChIKeyYMJNEEOCVYBQDW-FBSVACHXSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene 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 (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The IUPAC name of (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene (CID 21351131) is (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene.
What is the SMILES notation for (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The canonical SMILES for (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene is C=C/C=C1\CCCC(/C=C/C)=C1OC.
What is the InChIKey of (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The InChIKey is YMJNEEOCVYBQDW-FBSVACHXSA-N. The full InChI is InChI=1S/C13H18O/c1-4-7-11-9-6-10-12(8-5-2)13(11)14-3/h4-5,7-8H,1,6,9-10H2,2-3H3/b8-5+,11-7+.
What are the key properties of (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene has a molecular weight of 190.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene is sourced from PubChem (CID 21351131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).