11-methoxy-6,10-dimethylundeca-5,9-dien-2-one

C14H24O2 — CID 54304470

IUPAC11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOCC(C)=CCCC(C)=CCCC(C)=O
InChIInChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3
InChIKeySGNNTCBXZNBLBJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds8

About 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one

11-methoxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 54304470) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID54304470
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOCC(C)=CCCC(C)=CCCC(C)=O
InChIInChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3
InChIKeySGNNTCBXZNBLBJ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-methoxy-6,10-dimethylundeca-5,9-dien-2-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 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one (CID 54304470) is 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one is COCC(C)=CCCC(C)=CCCC(C)=O.
What is the InChIKey of 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is SGNNTCBXZNBLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
11-methoxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 54304470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).