4-methoxy-4-prop-2-enylhepta-1,6-diene

C11H18O — CID 164754119

IUPAC4-methoxy-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)OC
InChIInChI=1S/C11H18O/c1-5-8-11(12-4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3
InChIKeyHQZNHPPJISNILY-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds7

About 4-methoxy-4-prop-2-enylhepta-1,6-diene

4-methoxy-4-prop-2-enylhepta-1,6-diene (PubChem CID 164754119) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methoxy-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name4-methoxy-4-prop-2-enylhepta-1,6-diene
PubChem CID164754119
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methoxy-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)OC
InChIInChI=1S/C11H18O/c1-5-8-11(12-4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3
InChIKeyHQZNHPPJISNILY-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methoxy-4-prop-2-enylhepta-1,6-diene 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 4-methoxy-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 4-methoxy-4-prop-2-enylhepta-1,6-diene (CID 164754119) is 4-methoxy-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 4-methoxy-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 4-methoxy-4-prop-2-enylhepta-1,6-diene is C=CCC(CC=C)(CC=C)OC.
What is the InChIKey of 4-methoxy-4-prop-2-enylhepta-1,6-diene?
The InChIKey is HQZNHPPJISNILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-8-11(12-4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3.
What are the key properties of 4-methoxy-4-prop-2-enylhepta-1,6-diene?
4-methoxy-4-prop-2-enylhepta-1,6-diene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 164754119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).