(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal

C25H50O — CID 139263692

IUPAC(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C=O
InChIInChI=1S/C25H50O/c1-6-7-8-9-10-14-22(2)15-11-16-23(3)17-12-18-24(4)19-13-20-25(5)21-26/h21-25H,6-20H2,1-5H3/t22-,23-,24-,25?/m0/s1
InChIKeyVOBRGQBJWGBITA-UKXRBIRESA-N
MW366.67 g/mol
LogP8.60
Rot. Bonds19

About (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal

(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal (PubChem CID 139263692) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal.

Molecular Properties

Compound Name(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
PubChem CID139263692
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Name(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C=O
InChIInChI=1S/C25H50O/c1-6-7-8-9-10-14-22(2)15-11-16-23(3)17-12-18-24(4)19-13-20-25(5)21-26/h21-25H,6-20H2,1-5H3/t22-,23-,24-,25?/m0/s1
InChIKeyVOBRGQBJWGBITA-UKXRBIRESA-N
XLogP8.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyldodecanal
CID 87784106
2-methyldecanal;undecanal
CID 159845344
2-methylundecanal;tetradecanal
CID 87951053
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
7,11-dimethylpentatriacontane
CID 6430674
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
11,15-dimethyloctacosane
CID 71367376

Frequently Asked Questions

What is the IUPAC name of (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal?
The IUPAC name of (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal (CID 139263692) is (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal.
What is the SMILES notation for (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal?
The canonical SMILES for (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal is CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C=O.
What is the InChIKey of (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal?
The InChIKey is VOBRGQBJWGBITA-UKXRBIRESA-N. The full InChI is InChI=1S/C25H50O/c1-6-7-8-9-10-14-22(2)15-11-16-23(3)17-12-18-24(4)19-13-20-25(5)21-26/h21-25H,6-20H2,1-5H3/t22-,23-,24-,25?/m0/s1.
What are the key properties of (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal?
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal has a molecular weight of 366.67 g/mol, XLogP of 8.60, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal is sourced from PubChem (CID 139263692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).