(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene

C11H16O — CID 143334685

IUPAC(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene
SMILESCO/C1=C/C/C=C\C(C)/C=C\C1
InChIInChI=1S/C11H16O/c1-10-6-3-4-8-11(12-2)9-5-7-10/h3,5-8,10H,4,9H2,1-2H3/b6-3-,7-5-,11-8+
InChIKeyWXWYNVIHGWQGAL-FGTFIDKMSA-N
MW164.25 g/mol
LogP3.06
Rot. Bonds1

About (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene

(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene (PubChem CID 143334685) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene.

Molecular Properties

Compound Name(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene
PubChem CID143334685
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene
SMILESCO/C1=C/C/C=C\C(C)/C=C\C1
InChIInChI=1S/C11H16O/c1-10-6-3-4-8-11(12-2)9-5-7-10/h3,5-8,10H,4,9H2,1-2H3/b6-3-,7-5-,11-8+
InChIKeyWXWYNVIHGWQGAL-FGTFIDKMSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene with MolForge

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

Launch Full Analysis

Related Compounds

1,5-dimethoxycyclohepta-1,4-diene
CID 156747546
1-methoxy-5-methylcyclohepta-1,4-diene
CID 143950123
1-butoxycyclohexa-1,4-diene
CID 11147826
6-cyclopentyloxy-1-methoxycyclohexa-1,4-diene
CID 57165916
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
1-methyl-2,3,3a,6-tetrahydro-1H-indene
CID 145030124
(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
CID 156675048
1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 145017511
cyclopenta-1,3-diene;3-methylcyclopropene
CID 21266720
4-methoxycyclohex-4-ene-1,2-diol
CID 89358847
3-methyl-4-methylidenecyclopentene
CID 59941732

Frequently Asked Questions

What is the IUPAC name of (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene?
The IUPAC name of (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene (CID 143334685) is (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene.
What is the SMILES notation for (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene?
The canonical SMILES for (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene is CO/C1=C/C/C=C\C(C)/C=C\C1.
What is the InChIKey of (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene?
The InChIKey is WXWYNVIHGWQGAL-FGTFIDKMSA-N. The full InChI is InChI=1S/C11H16O/c1-10-6-3-4-8-11(12-2)9-5-7-10/h3,5-8,10H,4,9H2,1-2H3/b6-3-,7-5-,11-8+.
What are the key properties of (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene?
(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene has a molecular weight of 164.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene is sourced from PubChem (CID 143334685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).