(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal

C15H26O2 — CID 6443700

IUPAC(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)CC=O
InChIInChI=1S/C15H26O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,17)11-12-16/h7,9,12,17H,5-6,8,10-11H2,1-4H3/b14-9+
InChIKeyWUZXLMBVDIMYPI-NTEUORMPSA-N
MW238.37 g/mol
LogP3.80
Rot. Bonds8

About (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal

(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal (PubChem CID 6443700) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal.

Molecular Properties

Compound Name(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal
PubChem CID6443700
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)CC=O
InChIInChI=1S/C15H26O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,17)11-12-16/h7,9,12,17H,5-6,8,10-11H2,1-4H3/b14-9+
InChIKeyWUZXLMBVDIMYPI-NTEUORMPSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal 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 (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal?
The IUPAC name of (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal (CID 6443700) is (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal.
What is the SMILES notation for (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal?
The canonical SMILES for (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal is CC(C)=CCC/C(C)=C/CCC(C)(O)CC=O.
What is the InChIKey of (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal?
The InChIKey is WUZXLMBVDIMYPI-NTEUORMPSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,17)11-12-16/h7,9,12,17H,5-6,8,10-11H2,1-4H3/b14-9+.
What are the key properties of (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal?
(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal has a molecular weight of 238.37 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal is sourced from PubChem (CID 6443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).