2-hydroxypropanoyl dodecanoate

C15H28O4 — CID 19360653

IUPAC2-hydroxypropanoyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16/h13,16H,3-12H2,1-2H3
InChIKeyJFAFJMHHSBNAFV-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.36
Rot. Bonds11

About 2-hydroxypropanoyl dodecanoate

2-hydroxypropanoyl dodecanoate (PubChem CID 19360653) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-hydroxypropanoyl dodecanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl dodecanoate
PubChem CID19360653
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-hydroxypropanoyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16/h13,16H,3-12H2,1-2H3
InChIKeyJFAFJMHHSBNAFV-UHFFFAOYSA-N
XLogP3.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxypropanoyl dodecanoate?
The IUPAC name of 2-hydroxypropanoyl dodecanoate (CID 19360653) is 2-hydroxypropanoyl dodecanoate.
What is the SMILES notation for 2-hydroxypropanoyl dodecanoate?
The canonical SMILES for 2-hydroxypropanoyl dodecanoate is CCCCCCCCCCCC(=O)OC(=O)C(C)O.
What is the InChIKey of 2-hydroxypropanoyl dodecanoate?
The InChIKey is JFAFJMHHSBNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-hydroxypropanoyl dodecanoate?
2-hydroxypropanoyl dodecanoate has a molecular weight of 272.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl dodecanoate is sourced from PubChem (CID 19360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).