(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol

C15H26O — CID 134896924

IUPAC(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol
SMILESC=CC(C)(O)C/C(C)=C/CC/C(C)=C/CC
InChIInChI=1S/C15H26O/c1-6-9-13(3)10-8-11-14(4)12-15(5,16)7-2/h7,9,11,16H,2,6,8,10,12H2,1,3-5H3/b13-9+,14-11+
InChIKeyFLEUHLCUVPVIDN-IJFRVEDASA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds7

About (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol

(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol (PubChem CID 134896924) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol.

Molecular Properties

Compound Name(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol
PubChem CID134896924
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol
SMILESC=CC(C)(O)C/C(C)=C/CC/C(C)=C/CC
InChIInChI=1S/C15H26O/c1-6-9-13(3)10-8-11-14(4)12-15(5,16)7-2/h7,9,11,16H,2,6,8,10,12H2,1,3-5H3/b13-9+,14-11+
InChIKeyFLEUHLCUVPVIDN-IJFRVEDASA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-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 (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol?
The IUPAC name of (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol (CID 134896924) is (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol.
What is the SMILES notation for (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol?
The canonical SMILES for (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol is C=CC(C)(O)C/C(C)=C/CC/C(C)=C/CC.
What is the InChIKey of (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol?
The InChIKey is FLEUHLCUVPVIDN-IJFRVEDASA-N. The full InChI is InChI=1S/C15H26O/c1-6-9-13(3)10-8-11-14(4)12-15(5,16)7-2/h7,9,11,16H,2,6,8,10,12H2,1,3-5H3/b13-9+,14-11+.
What are the key properties of (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol?
(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol is sourced from PubChem (CID 134896924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).