2-hydroxy-3,7,11,15-tetramethylhexadecanal

C20H40O2 — CID 91588930

IUPAC2-hydroxy-3,7,11,15-tetramethylhexadecanal
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C=O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(22)15-21/h15-20,22H,6-14H2,1-5H3
InChIKeyUKGFZLIWHAFELS-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.62
Rot. Bonds14

About 2-hydroxy-3,7,11,15-tetramethylhexadecanal

2-hydroxy-3,7,11,15-tetramethylhexadecanal (PubChem CID 91588930) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-hydroxy-3,7,11,15-tetramethylhexadecanal.

Molecular Properties

Compound Name2-hydroxy-3,7,11,15-tetramethylhexadecanal
PubChem CID91588930
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-hydroxy-3,7,11,15-tetramethylhexadecanal
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C=O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(22)15-21/h15-20,22H,6-14H2,1-5H3
InChIKeyUKGFZLIWHAFELS-UHFFFAOYSA-N
XLogP5.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-3,7,11,15-tetramethylhexadecanal 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 2-hydroxy-3,7,11,15-tetramethylhexadecanal?
The IUPAC name of 2-hydroxy-3,7,11,15-tetramethylhexadecanal (CID 91588930) is 2-hydroxy-3,7,11,15-tetramethylhexadecanal.
What is the SMILES notation for 2-hydroxy-3,7,11,15-tetramethylhexadecanal?
The canonical SMILES for 2-hydroxy-3,7,11,15-tetramethylhexadecanal is CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C=O.
What is the InChIKey of 2-hydroxy-3,7,11,15-tetramethylhexadecanal?
The InChIKey is UKGFZLIWHAFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(22)15-21/h15-20,22H,6-14H2,1-5H3.
What are the key properties of 2-hydroxy-3,7,11,15-tetramethylhexadecanal?
2-hydroxy-3,7,11,15-tetramethylhexadecanal has a molecular weight of 312.54 g/mol, XLogP of 5.62, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,7,11,15-tetramethylhexadecanal is sourced from PubChem (CID 91588930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).