2-hydroxypropyl dodecanoate

C15H30O3 — CID 14870

IUPAC2-hydroxypropyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(C)O
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
InChIKeyBHIZVZJETFVJMJ-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds12

About 2-hydroxypropyl dodecanoate

2-hydroxypropyl dodecanoate (PubChem CID 14870) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-hydroxypropyl dodecanoate.

Molecular Properties

Compound Name2-hydroxypropyl dodecanoate
PubChem CID14870
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-hydroxypropyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(C)O
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
InChIKeyBHIZVZJETFVJMJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl 1-monooctanoate
CID 3033877
Monostearin
CID 24699
Hydroxycaprylic Acid
CID 94180
Propylene Glycol Monostearate
CID 14878
1-Decanoylglycerol
CID 92926
Glyceryl Myristate
CID 79050
2-Palmitoylglycerol
CID 123409
Monolaurin
CID 14871
Glycol monostearate
CID 24762
2-Hydroxytetradecanoic acid
CID 1563
Isopropyl dodecanoate
CID 25068
1,3-Dipalmitin
CID 68149

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl dodecanoate?
The IUPAC name of 2-hydroxypropyl dodecanoate (CID 14870) is 2-hydroxypropyl dodecanoate.
What is the SMILES notation for 2-hydroxypropyl dodecanoate?
The canonical SMILES for 2-hydroxypropyl dodecanoate is CCCCCCCCCCCC(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl dodecanoate?
The InChIKey is BHIZVZJETFVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-hydroxypropyl dodecanoate?
2-hydroxypropyl dodecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl dodecanoate is sourced from PubChem (CID 14870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).