2,3-dihydroxypropanoyl tetradecanoate

C17H32O5 — CID 21115609

IUPAC2,3-dihydroxypropanoyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C17H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)22-17(21)15(19)14-18/h15,18-19H,2-14H2,1H3
InChIKeyBHRYQBIKAWPJFU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.11
Rot. Bonds14

About 2,3-dihydroxypropanoyl tetradecanoate

2,3-dihydroxypropanoyl tetradecanoate (PubChem CID 21115609) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl tetradecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl tetradecanoate
PubChem CID21115609
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2,3-dihydroxypropanoyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C17H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)22-17(21)15(19)14-18/h15,18-19H,2-14H2,1H3
InChIKeyBHRYQBIKAWPJFU-UHFFFAOYSA-N
XLogP3.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl tetradecanoate?
The IUPAC name of 2,3-dihydroxypropanoyl tetradecanoate (CID 21115609) is 2,3-dihydroxypropanoyl tetradecanoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl tetradecanoate?
The canonical SMILES for 2,3-dihydroxypropanoyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl tetradecanoate?
The InChIKey is BHRYQBIKAWPJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)22-17(21)15(19)14-18/h15,18-19H,2-14H2,1H3.
What are the key properties of 2,3-dihydroxypropanoyl tetradecanoate?
2,3-dihydroxypropanoyl tetradecanoate has a molecular weight of 316.44 g/mol, XLogP of 3.11, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl tetradecanoate is sourced from PubChem (CID 21115609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).