(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene

C10H16O — CID 10920704

IUPAC(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene
SMILESC=C/C=C/C(C)(C)/C=C\OC
InChIInChI=1S/C10H16O/c1-5-6-7-10(2,3)8-9-11-4/h5-9H,1H2,2-4H3/b7-6+,9-8-
InChIKeyKNASJTSZAAHBPT-MUIOLIGRSA-N
MW152.24 g/mol
LogP2.91
Rot. Bonds4

About (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene

(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene (PubChem CID 10920704) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene.

Molecular Properties

Compound Name(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene
PubChem CID10920704
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene
SMILESC=C/C=C/C(C)(C)/C=C\OC
InChIInChI=1S/C10H16O/c1-5-6-7-10(2,3)8-9-11-4/h5-9H,1H2,2-4H3/b7-6+,9-8-
InChIKeyKNASJTSZAAHBPT-MUIOLIGRSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene 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,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene?
The IUPAC name of (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene (CID 10920704) is (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene.
What is the SMILES notation for (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene?
The canonical SMILES for (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene is C=C/C=C/C(C)(C)/C=C\OC.
What is the InChIKey of (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene?
The InChIKey is KNASJTSZAAHBPT-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-7-10(2,3)8-9-11-4/h5-9H,1H2,2-4H3/b7-6+,9-8-.
What are the key properties of (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene?
(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene has a molecular weight of 152.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene is sourced from PubChem (CID 10920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).