(2R)-2-methyloctadecan-1-ol

C19H40O — CID 122453872

IUPAC(2R)-2-methyloctadecan-1-ol
SMILESCCCCCCCCCCCCCCCC[C@@H](C)CO
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19-20H,3-18H2,1-2H3/t19-/m1/s1
InChIKeyLCDPGWAEBCUYHP-LJQANCHMSA-N
MW284.53 g/mol
LogP6.49
Rot. Bonds16

About (2R)-2-methyloctadecan-1-ol

(2R)-2-methyloctadecan-1-ol (PubChem CID 122453872) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is (2R)-2-methyloctadecan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyloctadecan-1-ol
PubChem CID122453872
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name(2R)-2-methyloctadecan-1-ol
SMILESCCCCCCCCCCCCCCCC[C@@H](C)CO
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19-20H,3-18H2,1-2H3/t19-/m1/s1
InChIKeyLCDPGWAEBCUYHP-LJQANCHMSA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.49
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-methylhexadecan-1-ol
CID 17218
2,6-dimethyldodecan-1-ol
CID 14392571
2-methyl-6-octyltetradecan-1-ol
CID 174680408
2-methylhexan-1-ol
CID 159157237
2-methyldodecane-1,8-diol
CID 59660146
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
2,7-dimethyloctane-1,8-diol
CID 11008425
2,6-dimethyldodecan-1-ol;sulfuric acid
CID 87950586
methanesulfonic acid;2-methylheptan-1-ol
CID 175345727
methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol
CID 157486935
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyloctadecan-1-ol?
The IUPAC name of (2R)-2-methyloctadecan-1-ol (CID 122453872) is (2R)-2-methyloctadecan-1-ol.
What is the SMILES notation for (2R)-2-methyloctadecan-1-ol?
The canonical SMILES for (2R)-2-methyloctadecan-1-ol is CCCCCCCCCCCCCCCC[C@@H](C)CO.
What is the InChIKey of (2R)-2-methyloctadecan-1-ol?
The InChIKey is LCDPGWAEBCUYHP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19-20H,3-18H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-methyloctadecan-1-ol?
(2R)-2-methyloctadecan-1-ol has a molecular weight of 284.53 g/mol, XLogP of 6.49, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyloctadecan-1-ol is sourced from PubChem (CID 122453872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).