tridecane-2,3,4-triol

C13H28O3 — CID 90443062

IUPACtridecane-2,3,4-triol
SMILESCCCCCCCCCC(O)C(O)C(C)O
InChIInChI=1S/C13H28O3/c1-3-4-5-6-7-8-9-10-12(15)13(16)11(2)14/h11-16H,3-10H2,1-2H3
InChIKeyWZMUPCVXFBAKCN-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.23
Rot. Bonds10

About tridecane-2,3,4-triol

tridecane-2,3,4-triol (PubChem CID 90443062) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is tridecane-2,3,4-triol.

Molecular Properties

Compound Nametridecane-2,3,4-triol
PubChem CID90443062
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Nametridecane-2,3,4-triol
SMILESCCCCCCCCCC(O)C(O)C(C)O
InChIInChI=1S/C13H28O3/c1-3-4-5-6-7-8-9-10-12(15)13(16)11(2)14/h11-16H,3-10H2,1-2H3
InChIKeyWZMUPCVXFBAKCN-UHFFFAOYSA-N
XLogP2.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyldodecane-3,4-diol
CID 103456553
(2R,3S)-dodecane-2,3-diol
CID 163394646
nonacosane-14,15-diol
CID 91509633
octane-2,3-diol;hydrochloride
CID 175007054
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
heptadecane-2,5,6-triol
CID 90443080

Frequently Asked Questions

What is the IUPAC name of tridecane-2,3,4-triol?
The IUPAC name of tridecane-2,3,4-triol (CID 90443062) is tridecane-2,3,4-triol.
What is the SMILES notation for tridecane-2,3,4-triol?
The canonical SMILES for tridecane-2,3,4-triol is CCCCCCCCCC(O)C(O)C(C)O.
What is the InChIKey of tridecane-2,3,4-triol?
The InChIKey is WZMUPCVXFBAKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-3-4-5-6-7-8-9-10-12(15)13(16)11(2)14/h11-16H,3-10H2,1-2H3.
What are the key properties of tridecane-2,3,4-triol?
tridecane-2,3,4-triol has a molecular weight of 232.36 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecane-2,3,4-triol is sourced from PubChem (CID 90443062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).