3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one

C17H26O3 — CID 10492881

IUPAC3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
SMILESCC(/C=C\C1CCCC(=O)C1)=C/COC1CCCCO1
InChIInChI=1S/C17H26O3/c1-14(8-9-15-5-4-6-16(18)13-15)10-12-20-17-7-2-3-11-19-17/h8-10,15,17H,2-7,11-13H2,1H3/b9-8-,14-10-
InChIKeyTUKLDGQMBOJZEE-GWUHCMQSSA-N
MW278.39 g/mol
LogP3.79
Rot. Bonds5

About 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one

3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one (PubChem CID 10492881) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
PubChem CID10492881
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
SMILESCC(/C=C\C1CCCC(=O)C1)=C/COC1CCCCO1
InChIInChI=1S/C17H26O3/c1-14(8-9-15-5-4-6-16(18)13-15)10-12-20-17-7-2-3-11-19-17/h8-10,15,17H,2-7,11-13H2,1H3/b9-8-,14-10-
InChIKeyTUKLDGQMBOJZEE-GWUHCMQSSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-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 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The IUPAC name of 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one (CID 10492881) is 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The canonical SMILES for 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one is CC(/C=C\C1CCCC(=O)C1)=C/COC1CCCCO1.
What is the InChIKey of 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The InChIKey is TUKLDGQMBOJZEE-GWUHCMQSSA-N. The full InChI is InChI=1S/C17H26O3/c1-14(8-9-15-5-4-6-16(18)13-15)10-12-20-17-7-2-3-11-19-17/h8-10,15,17H,2-7,11-13H2,1H3/b9-8-,14-10-.
What are the key properties of 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one has a molecular weight of 278.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one is sourced from PubChem (CID 10492881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).