[(2R)-2-hydroxypropyl] dodecanoate

C15H30O3 — CID 73416019

IUPAC[(2R)-2-hydroxypropyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@H](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/t14-/m1/s1
InChIKeyBHIZVZJETFVJMJ-CQSZACIVSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds12

About [(2R)-2-hydroxypropyl] dodecanoate

[(2R)-2-hydroxypropyl] dodecanoate (PubChem CID 73416019) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is [(2R)-2-hydroxypropyl] dodecanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxypropyl] dodecanoate
PubChem CID73416019
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name[(2R)-2-hydroxypropyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@H](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/t14-/m1/s1
InChIKeyBHIZVZJETFVJMJ-CQSZACIVSA-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

2-hydroxypropyl tricosanoate
CID 102118698
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
(3-decanoyloxy-2-methylpropyl) dodecanoate
CID 178043499
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131800454
[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
CID 131799469

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypropyl] dodecanoate?
The IUPAC name of [(2R)-2-hydroxypropyl] dodecanoate (CID 73416019) is [(2R)-2-hydroxypropyl] dodecanoate.
What is the SMILES notation for [(2R)-2-hydroxypropyl] dodecanoate?
The canonical SMILES for [(2R)-2-hydroxypropyl] dodecanoate is CCCCCCCCCCCC(=O)OC[C@@H](C)O.
What is the InChIKey of [(2R)-2-hydroxypropyl] dodecanoate?
The InChIKey is BHIZVZJETFVJMJ-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of [(2R)-2-hydroxypropyl] dodecanoate?
[(2R)-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 [(2R)-2-hydroxypropyl] dodecanoate is sourced from PubChem (CID 73416019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).