tetradecyl 2,3-dihydroxypropanoate

C17H34O4 — CID 23624049

IUPACtetradecyl 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(O)CO
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h16,18-19H,2-15H2,1H3
InChIKeyRCVXUZDXWKYWDH-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.58
Rot. Bonds15

About tetradecyl 2,3-dihydroxypropanoate

tetradecyl 2,3-dihydroxypropanoate (PubChem CID 23624049) has the molecular formula C17H34O4 and a molecular weight of 302.45 g/mol. Its IUPAC name is tetradecyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nametetradecyl 2,3-dihydroxypropanoate
PubChem CID23624049
Molecular FormulaC17H34O4
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Nametetradecyl 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(O)CO
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h16,18-19H,2-15H2,1H3
InChIKeyRCVXUZDXWKYWDH-UHFFFAOYSA-N
XLogP3.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetradecyl 2,3-dihydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecyl 2,3-dihydroxypropanoate
CID 141488973
8-hydroxyoctyl 2-hydroxyoctadecanoate
CID 88959227
octadecyl 2-hydroxydocosanoate
CID 22753830
octacosyl 2-hydroxyoctadecanoate
CID 152554946
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 tetradecyl 2,3-dihydroxypropanoate?
The IUPAC name of tetradecyl 2,3-dihydroxypropanoate (CID 23624049) is tetradecyl 2,3-dihydroxypropanoate.
What is the SMILES notation for tetradecyl 2,3-dihydroxypropanoate?
The canonical SMILES for tetradecyl 2,3-dihydroxypropanoate is CCCCCCCCCCCCCCOC(=O)C(O)CO.
What is the InChIKey of tetradecyl 2,3-dihydroxypropanoate?
The InChIKey is RCVXUZDXWKYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h16,18-19H,2-15H2,1H3.
What are the key properties of tetradecyl 2,3-dihydroxypropanoate?
tetradecyl 2,3-dihydroxypropanoate has a molecular weight of 302.45 g/mol, XLogP of 3.58, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 23624049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).