6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

C15H26O3 — CID 91054299

IUPAC6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
SMILESCC(=CCCC(=CCCC(C)=CCO)CO)CO
InChIInChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3
InChIKeyMOFGXPKHCUZJEB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds9

About 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol (PubChem CID 91054299) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
PubChem CID91054299
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
SMILESCC(=CCCC(=CCCC(C)=CCO)CO)CO
InChIInChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3
InChIKeyMOFGXPKHCUZJEB-UHFFFAOYSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol 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 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The IUPAC name of 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol (CID 91054299) is 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The canonical SMILES for 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol is CC(=CCCC(=CCCC(C)=CCO)CO)CO.
What is the InChIKey of 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The InChIKey is MOFGXPKHCUZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol is sourced from PubChem (CID 91054299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).