decan-2-yl 2-hydroxypropanoate

C13H26O3 — CID 118918104

IUPACdecan-2-yl 2-hydroxypropanoate
SMILESCCCCCCCCC(C)OC(=O)C(C)O
InChIInChI=1S/C13H26O3/c1-4-5-6-7-8-9-10-11(2)16-13(15)12(3)14/h11-12,14H,4-10H2,1-3H3
InChIKeyRSXVQABDGDHTFZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds9

About decan-2-yl 2-hydroxypropanoate

decan-2-yl 2-hydroxypropanoate (PubChem CID 118918104) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is decan-2-yl 2-hydroxypropanoate.

Molecular Properties

Compound Namedecan-2-yl 2-hydroxypropanoate
PubChem CID118918104
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Namedecan-2-yl 2-hydroxypropanoate
SMILESCCCCCCCCC(C)OC(=O)C(C)O
InChIInChI=1S/C13H26O3/c1-4-5-6-7-8-9-10-11(2)16-13(15)12(3)14/h11-12,14H,4-10H2,1-3H3
InChIKeyRSXVQABDGDHTFZ-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
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

octadecan-2-yl 2-methylnonadecanoate
CID 58960721
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
pentacosan-2-yl acetate
CID 173416941
heptadecan-2-yl hydrogen carbonate
CID 87300493
octan-2-yl 2-(aminomethyl)-3-methylbutanoate
CID 65217585
octan-2-yl 2-amino-3,3-dimethylbutanoate
CID 61302112
octan-2-yl 2-bromo-3-oxobutanoate
CID 87346714
hexadecan-2-yl propanoate
CID 154494346
[(2R)-octan-2-yl] carbonofluoridate
CID 135080787
[(2S)-dodecan-2-yl] propanoate
CID 162853259
pentan-2-yl 2-butyloctanoate
CID 126658986

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 2-hydroxypropanoate?
The IUPAC name of decan-2-yl 2-hydroxypropanoate (CID 118918104) is decan-2-yl 2-hydroxypropanoate.
What is the SMILES notation for decan-2-yl 2-hydroxypropanoate?
The canonical SMILES for decan-2-yl 2-hydroxypropanoate is CCCCCCCCC(C)OC(=O)C(C)O.
What is the InChIKey of decan-2-yl 2-hydroxypropanoate?
The InChIKey is RSXVQABDGDHTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-5-6-7-8-9-10-11(2)16-13(15)12(3)14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of decan-2-yl 2-hydroxypropanoate?
decan-2-yl 2-hydroxypropanoate has a molecular weight of 230.35 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 2-hydroxypropanoate is sourced from PubChem (CID 118918104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).