(3E)-4,8-dimethylnona-3,7-dien-2-ol

C11H20O — CID 5365818

IUPAC(3E)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(C)O
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
InChIKeyNYPOJSCNHYUZRG-CSKARUKUSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds4

About (3E)-4,8-dimethylnona-3,7-dien-2-ol

(3E)-4,8-dimethylnona-3,7-dien-2-ol (PubChem CID 5365818) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-dien-2-ol
PubChem CID5365818
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(C)O
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
InChIKeyNYPOJSCNHYUZRG-CSKARUKUSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3E)-4,8-dimethylnona-3,7-dien-2-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 (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-2-ol (CID 5365818) is (3E)-4,8-dimethylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-dien-2-ol is CC(C)=CCC/C(C)=C/C(C)O.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The InChIKey is NYPOJSCNHYUZRG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-dien-2-ol?
(3E)-4,8-dimethylnona-3,7-dien-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 5365818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).