2-methyl-6-octyltetradecan-1-ol

C23H48O — CID 174680408

IUPAC2-methyl-6-octyltetradecan-1-ol
SMILESCCCCCCCCC(CCCCCCCC)CCCC(C)CO
InChIInChI=1S/C23H48O/c1-4-6-8-10-12-14-18-23(20-16-17-22(3)21-24)19-15-13-11-9-7-5-2/h22-24H,4-21H2,1-3H3
InChIKeyACPFHBBKZOLDPX-UHFFFAOYSA-N
MW340.64 g/mol
LogP7.90
Rot. Bonds19

About 2-methyl-6-octyltetradecan-1-ol

2-methyl-6-octyltetradecan-1-ol (PubChem CID 174680408) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-methyl-6-octyltetradecan-1-ol.

Molecular Properties

Compound Name2-methyl-6-octyltetradecan-1-ol
PubChem CID174680408
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name2-methyl-6-octyltetradecan-1-ol
SMILESCCCCCCCCC(CCCCCCCC)CCCC(C)CO
InChIInChI=1S/C23H48O/c1-4-6-8-10-12-14-18-23(20-16-17-22(3)21-24)19-15-13-11-9-7-5-2/h22-24H,4-21H2,1-3H3
InChIKeyACPFHBBKZOLDPX-UHFFFAOYSA-N
XLogP7.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyldodecan-1-ol
CID 14392571
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
13-methyl-24-tetradecyltritetracontane
CID 173071329
2,6-dimethyldodecan-1-ol;sulfuric acid
CID 87950586
2-methylhexan-1-ol
CID 159157237
5-ethyl-2-methyldecan-1-ol
CID 141378719
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
10-methyl-6,15-dipropylicosane
CID 144641599
24-docosyl-21-methylheptatetracontane
CID 173071241
2-pentyltridecan-1-ol
CID 19896300
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-octyltetradecan-1-ol?
The IUPAC name of 2-methyl-6-octyltetradecan-1-ol (CID 174680408) is 2-methyl-6-octyltetradecan-1-ol.
What is the SMILES notation for 2-methyl-6-octyltetradecan-1-ol?
The canonical SMILES for 2-methyl-6-octyltetradecan-1-ol is CCCCCCCCC(CCCCCCCC)CCCC(C)CO.
What is the InChIKey of 2-methyl-6-octyltetradecan-1-ol?
The InChIKey is ACPFHBBKZOLDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-4-6-8-10-12-14-18-23(20-16-17-22(3)21-24)19-15-13-11-9-7-5-2/h22-24H,4-21H2,1-3H3.
What are the key properties of 2-methyl-6-octyltetradecan-1-ol?
2-methyl-6-octyltetradecan-1-ol has a molecular weight of 340.64 g/mol, XLogP of 7.90, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-octyltetradecan-1-ol is sourced from PubChem (CID 174680408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).