(2R,3R)-3-methylpentadecan-2-ol

C16H34O — CID 94864867

IUPAC(2R,3R)-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCC[C@@H](C)[C@@H](C)O
InChIInChI=1S/C16H34O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15-17H,4-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDEKUYNCVBPPRHT-HZPDHXFCSA-N
MW242.45 g/mol
LogP5.31
Rot. Bonds12

About (2R,3R)-3-methylpentadecan-2-ol

(2R,3R)-3-methylpentadecan-2-ol (PubChem CID 94864867) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is (2R,3R)-3-methylpentadecan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-methylpentadecan-2-ol
PubChem CID94864867
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name(2R,3R)-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCC[C@@H](C)[C@@H](C)O
InChIInChI=1S/C16H34O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15-17H,4-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDEKUYNCVBPPRHT-HZPDHXFCSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.31
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

(2S,3S,7S)-3,7-dimethyltridecan-2-ol
CID 5283288
(2S,3R,7R)-3,7-dimethyltridecan-2-ol
CID 15981575
(2S,3R)-3,7-dimethyltridecan-2-ol
CID 11401930
butane;ethane;3-methylheptan-2-ol
CID 176696047
11,12-dimethyloctacosane
CID 23345853
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
(2S)-3,9-dimethylundecan-2-ol
CID 101151522

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methylpentadecan-2-ol?
The IUPAC name of (2R,3R)-3-methylpentadecan-2-ol (CID 94864867) is (2R,3R)-3-methylpentadecan-2-ol.
What is the SMILES notation for (2R,3R)-3-methylpentadecan-2-ol?
The canonical SMILES for (2R,3R)-3-methylpentadecan-2-ol is CCCCCCCCCCCC[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-methylpentadecan-2-ol?
The InChIKey is DEKUYNCVBPPRHT-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H34O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15-17H,4-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-3-methylpentadecan-2-ol?
(2R,3R)-3-methylpentadecan-2-ol has a molecular weight of 242.45 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methylpentadecan-2-ol is sourced from PubChem (CID 94864867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).