(4E)-5,9-dimethyldeca-4,8-dien-3-ol

C12H22O — CID 5365900

IUPAC(4E)-5,9-dimethyldeca-4,8-dien-3-ol
SMILESCCC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h7,9,12-13H,5-6,8H2,1-4H3/b11-9+
InChIKeyPQUSMVMWVMGVGN-PKNBQFBNSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds5

About (4E)-5,9-dimethyldeca-4,8-dien-3-ol

(4E)-5,9-dimethyldeca-4,8-dien-3-ol (PubChem CID 5365900) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4E)-5,9-dimethyldeca-4,8-dien-3-ol.

Molecular Properties

Compound Name(4E)-5,9-dimethyldeca-4,8-dien-3-ol
PubChem CID5365900
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4E)-5,9-dimethyldeca-4,8-dien-3-ol
SMILESCCC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h7,9,12-13H,5-6,8H2,1-4H3/b11-9+
InChIKeyPQUSMVMWVMGVGN-PKNBQFBNSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-5,9-dimethyldeca-4,8-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 (4E)-5,9-dimethyldeca-4,8-dien-3-ol?
The IUPAC name of (4E)-5,9-dimethyldeca-4,8-dien-3-ol (CID 5365900) is (4E)-5,9-dimethyldeca-4,8-dien-3-ol.
What is the SMILES notation for (4E)-5,9-dimethyldeca-4,8-dien-3-ol?
The canonical SMILES for (4E)-5,9-dimethyldeca-4,8-dien-3-ol is CCC(O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E)-5,9-dimethyldeca-4,8-dien-3-ol?
The InChIKey is PQUSMVMWVMGVGN-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h7,9,12-13H,5-6,8H2,1-4H3/b11-9+.
What are the key properties of (4E)-5,9-dimethyldeca-4,8-dien-3-ol?
(4E)-5,9-dimethyldeca-4,8-dien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyldeca-4,8-dien-3-ol is sourced from PubChem (CID 5365900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).