3,8-dimethylnona-1,7-dien-3-ol

C11H20O — CID 13226630

IUPAC3,8-dimethylnona-1,7-dien-3-ol
SMILESC=CC(C)(O)CCCC=C(C)C
InChIInChI=1S/C11H20O/c1-5-11(4,12)9-7-6-8-10(2)3/h5,8,12H,1,6-7,9H2,2-4H3
InChIKeyHVIRGTMLSPMISG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds5

About 3,8-dimethylnona-1,7-dien-3-ol

3,8-dimethylnona-1,7-dien-3-ol (PubChem CID 13226630) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,8-dimethylnona-1,7-dien-3-ol.

Molecular Properties

Compound Name3,8-dimethylnona-1,7-dien-3-ol
PubChem CID13226630
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,8-dimethylnona-1,7-dien-3-ol
SMILESC=CC(C)(O)CCCC=C(C)C
InChIInChI=1S/C11H20O/c1-5-11(4,12)9-7-6-8-10(2)3/h5,8,12H,1,6-7,9H2,2-4H3
InChIKeyHVIRGTMLSPMISG-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,8-dimethylnona-1,7-dien-3-ol 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 3,8-dimethylnona-1,7-dien-3-ol?
The IUPAC name of 3,8-dimethylnona-1,7-dien-3-ol (CID 13226630) is 3,8-dimethylnona-1,7-dien-3-ol.
What is the SMILES notation for 3,8-dimethylnona-1,7-dien-3-ol?
The canonical SMILES for 3,8-dimethylnona-1,7-dien-3-ol is C=CC(C)(O)CCCC=C(C)C.
What is the InChIKey of 3,8-dimethylnona-1,7-dien-3-ol?
The InChIKey is HVIRGTMLSPMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-11(4,12)9-7-6-8-10(2)3/h5,8,12H,1,6-7,9H2,2-4H3.
What are the key properties of 3,8-dimethylnona-1,7-dien-3-ol?
3,8-dimethylnona-1,7-dien-3-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylnona-1,7-dien-3-ol is sourced from PubChem (CID 13226630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).