2,3-dimethyltridecan-3-ol

C15H32O — CID 14591139

IUPAC2,3-dimethyltridecan-3-ol
SMILESCCCCCCCCCCC(C)(O)C(C)C
InChIInChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-13-15(4,16)14(2)3/h14,16H,5-13H2,1-4H3
InChIKeyLGWYYKOIVXESRB-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.92
Rot. Bonds10

About 2,3-dimethyltridecan-3-ol

2,3-dimethyltridecan-3-ol (PubChem CID 14591139) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2,3-dimethyltridecan-3-ol.

Molecular Properties

Compound Name2,3-dimethyltridecan-3-ol
PubChem CID14591139
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2,3-dimethyltridecan-3-ol
SMILESCCCCCCCCCCC(C)(O)C(C)C
InChIInChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-13-15(4,16)14(2)3/h14,16H,5-13H2,1-4H3
InChIKeyLGWYYKOIVXESRB-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
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

(3S)-2,3-dimethyloctan-3-ol
CID 25021578
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
3-ethyl-2-methylnonan-3-ol
CID 65146597
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
16,16,21,21-tetramethylhexatriacontane
CID 174880889
14,14-didodecyl-13-propan-2-ylhexacosan-13-ol
CID 23373241
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
10,10-di(propan-2-yl)octacosane
CID 152510996
6-methyl-6-propan-2-ylundecane
CID 87930599

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltridecan-3-ol?
The IUPAC name of 2,3-dimethyltridecan-3-ol (CID 14591139) is 2,3-dimethyltridecan-3-ol.
What is the SMILES notation for 2,3-dimethyltridecan-3-ol?
The canonical SMILES for 2,3-dimethyltridecan-3-ol is CCCCCCCCCCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyltridecan-3-ol?
The InChIKey is LGWYYKOIVXESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-13-15(4,16)14(2)3/h14,16H,5-13H2,1-4H3.
What are the key properties of 2,3-dimethyltridecan-3-ol?
2,3-dimethyltridecan-3-ol has a molecular weight of 228.42 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltridecan-3-ol is sourced from PubChem (CID 14591139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).