1-hydroxypropyl hexadecanoate

C19H38O3 — CID 20514368

IUPAC1-hydroxypropyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(O)CC
InChIInChI=1S/C19H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)22-18(20)4-2/h18,20H,3-17H2,1-2H3
InChIKeyQFLPYIAYMITBQE-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.74
Rot. Bonds16

About 1-hydroxypropyl hexadecanoate

1-hydroxypropyl hexadecanoate (PubChem CID 20514368) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-hydroxypropyl hexadecanoate.

Molecular Properties

Compound Name1-hydroxypropyl hexadecanoate
PubChem CID20514368
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name1-hydroxypropyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(O)CC
InChIInChI=1S/C19H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)22-18(20)4-2/h18,20H,3-17H2,1-2H3
InChIKeyQFLPYIAYMITBQE-UHFFFAOYSA-N
XLogP5.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
1-hydroxypropyl pentanoate
CID 141059599
1-hydroxybutyl tetradecanoate
CID 141075613
dihydroxymethyl nonanoate
CID 118275765
1-hydroxyethyl hexadecanoate
CID 87454687
azane;dihydroxymethyl octadecanoate
CID 174373244
1-hydroxyethyl decanoate
CID 176884014
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
bis(1-hydroxybutyl) hexanedioate
CID 88811322

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl hexadecanoate?
The IUPAC name of 1-hydroxypropyl hexadecanoate (CID 20514368) is 1-hydroxypropyl hexadecanoate.
What is the SMILES notation for 1-hydroxypropyl hexadecanoate?
The canonical SMILES for 1-hydroxypropyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl hexadecanoate?
The InChIKey is QFLPYIAYMITBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)22-18(20)4-2/h18,20H,3-17H2,1-2H3.
What are the key properties of 1-hydroxypropyl hexadecanoate?
1-hydroxypropyl hexadecanoate has a molecular weight of 314.51 g/mol, XLogP of 5.74, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl hexadecanoate is sourced from PubChem (CID 20514368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).