tridecyl 2,3-dihydroxypropanoate

C16H32O4 — CID 141488973

IUPACtridecyl 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCCOC(=O)C(O)CO
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-16(19)15(18)14-17/h15,17-18H,2-14H2,1H3
InChIKeyOCHRRZFRFPIOHA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.19
Rot. Bonds14

About tridecyl 2,3-dihydroxypropanoate

tridecyl 2,3-dihydroxypropanoate (PubChem CID 141488973) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is tridecyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nametridecyl 2,3-dihydroxypropanoate
PubChem CID141488973
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Nametridecyl 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCCOC(=O)C(O)CO
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-16(19)15(18)14-17/h15,17-18H,2-14H2,1H3
InChIKeyOCHRRZFRFPIOHA-UHFFFAOYSA-N
XLogP3.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 2,3-dihydroxypropanoate
CID 23624049
8-hydroxyoctyl 2-hydroxyoctadecanoate
CID 88959227
octacosyl 2-hydroxyoctadecanoate
CID 152554946
octadecyl 2-hydroxydocosanoate
CID 22753830
cyclohexyl 2,3-dihydroxypropanoate;hexyl 2,3-dihydroxypropanoate
CID 166679999
hexyl 2-hydroxyhexanoate;hydrochloride
CID 174906603
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989
3-hydroxy-4-icosoxy-4-oxobutanoic acid
CID 150309299
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
5-hydroxyoctacosyl 2-hydroxyoctadecanoate
CID 160811798
heptyl 2-amino-3-hydroxypropanoate
CID 14657672

Frequently Asked Questions

What is the IUPAC name of tridecyl 2,3-dihydroxypropanoate?
The IUPAC name of tridecyl 2,3-dihydroxypropanoate (CID 141488973) is tridecyl 2,3-dihydroxypropanoate.
What is the SMILES notation for tridecyl 2,3-dihydroxypropanoate?
The canonical SMILES for tridecyl 2,3-dihydroxypropanoate is CCCCCCCCCCCCCOC(=O)C(O)CO.
What is the InChIKey of tridecyl 2,3-dihydroxypropanoate?
The InChIKey is OCHRRZFRFPIOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-16(19)15(18)14-17/h15,17-18H,2-14H2,1H3.
What are the key properties of tridecyl 2,3-dihydroxypropanoate?
tridecyl 2,3-dihydroxypropanoate has a molecular weight of 288.43 g/mol, XLogP of 3.19, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 141488973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).