(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one

C17H26O3 — CID 15751303

IUPAC(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one
SMILESCOCOC1/C=C\CCCCC(=O)C(C)=C=CCCC1
InChIInChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h6-7,11,16H,3-5,8-9,12-14H2,1-2H3/b11-7-
InChIKeyJYIKGPQGAPOVPI-XFFZJAGNSA-N
MW278.39 g/mol
LogP3.95
Rot. Bonds3

About (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one

(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one (PubChem CID 15751303) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one.

Molecular Properties

Compound Name(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one
PubChem CID15751303
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one
SMILESCOCOC1/C=C\CCCCC(=O)C(C)=C=CCCC1
InChIInChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h6-7,11,16H,3-5,8-9,12-14H2,1-2H3/b11-7-
InChIKeyJYIKGPQGAPOVPI-XFFZJAGNSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one 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 (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one?
The IUPAC name of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one (CID 15751303) is (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one.
What is the SMILES notation for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one?
The canonical SMILES for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one is COCOC1/C=C\CCCCC(=O)C(C)=C=CCCC1.
What is the InChIKey of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one?
The InChIKey is JYIKGPQGAPOVPI-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h6-7,11,16H,3-5,8-9,12-14H2,1-2H3/b11-7-.
What are the key properties of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one?
(9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one has a molecular weight of 278.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradeca-2,3,9-trien-1-one is sourced from PubChem (CID 15751303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).