(2S,3S,7S)-3,7-dimethyltridecan-2-ol

C15H32O — CID 5283288

IUPAC(2S,3S,7S)-3,7-dimethyltridecan-2-ol
SMILESCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O
InChIInChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyGSOHTXXXDWFCAJ-KKUMJFAQSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds10

About (2S,3S,7S)-3,7-dimethyltridecan-2-ol

(2S,3S,7S)-3,7-dimethyltridecan-2-ol (PubChem CID 5283288) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is (2S,3S,7S)-3,7-dimethyltridecan-2-ol.

Molecular Properties

Compound Name(2S,3S,7S)-3,7-dimethyltridecan-2-ol
PubChem CID5283288
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name(2S,3S,7S)-3,7-dimethyltridecan-2-ol
SMILESCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O
InChIInChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyGSOHTXXXDWFCAJ-KKUMJFAQSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.78
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,3R,7R)-3,7-dimethyltridecan-2-ol
CID 15981575
(2S,3R)-3,7-dimethyltridecan-2-ol
CID 11401930
(2S,3R,7R)-3,7-dimethylundecan-2-ol
CID 15548643
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781
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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,7S)-3,7-dimethyltridecan-2-ol?
The IUPAC name of (2S,3S,7S)-3,7-dimethyltridecan-2-ol (CID 5283288) is (2S,3S,7S)-3,7-dimethyltridecan-2-ol.
What is the SMILES notation for (2S,3S,7S)-3,7-dimethyltridecan-2-ol?
The canonical SMILES for (2S,3S,7S)-3,7-dimethyltridecan-2-ol is CCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S,7S)-3,7-dimethyltridecan-2-ol?
The InChIKey is GSOHTXXXDWFCAJ-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15-/m0/s1.
What are the key properties of (2S,3S,7S)-3,7-dimethyltridecan-2-ol?
(2S,3S,7S)-3,7-dimethyltridecan-2-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,7S)-3,7-dimethyltridecan-2-ol is sourced from PubChem (CID 5283288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).