2,3-dihydroxypropyl hexadecanoate

C19H38O4 — CID 14900

IUPAC2,3-dihydroxypropyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
InChIKeyQHZLMUACJMDIAE-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.36
Rot. Bonds17

About 2,3-dihydroxypropyl hexadecanoate

2,3-dihydroxypropyl hexadecanoate (PubChem CID 14900) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2,3-dihydroxypropyl hexadecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl hexadecanoate
PubChem CID14900
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name2,3-dihydroxypropyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
InChIKeyQHZLMUACJMDIAE-UHFFFAOYSA-N
XLogP4.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.36
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

Tricaprylin
CID 10850
12-Hydroxystearic acid
CID 7789
Tricaprin
CID 69310
Glyceryl 1-monooctanoate
CID 3033877
Monostearin
CID 24699
Glycol monostearate
CID 24762
Propylene Glycol Monostearate
CID 14878
1-Decanoylglycerol
CID 92926
Sorbitan monooctadecanoate
CID 16218600
Monolaurin
CID 14871
Glyceryl Myristate
CID 79050
Triheptanoin
CID 69286

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl hexadecanoate?
The IUPAC name of 2,3-dihydroxypropyl hexadecanoate (CID 14900) is 2,3-dihydroxypropyl hexadecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl hexadecanoate?
The canonical SMILES for 2,3-dihydroxypropyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl hexadecanoate?
The InChIKey is QHZLMUACJMDIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3.
What are the key properties of 2,3-dihydroxypropyl hexadecanoate?
2,3-dihydroxypropyl hexadecanoate has a molecular weight of 330.51 g/mol, XLogP of 4.36, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl hexadecanoate is sourced from PubChem (CID 14900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).