dodecyl 2-hydroxypropanoate

C15H30O3 — CID 22692

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

About dodecyl 2-hydroxypropanoate

dodecyl 2-hydroxypropanoate (PubChem CID 22692) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is dodecyl 2-hydroxypropanoate.

Molecular Properties

Compound Namedodecyl 2-hydroxypropanoate
PubChem CID22692
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namedodecyl 2-hydroxypropanoate
SMILESCCCCCCCCCCCCOC(=O)C(C)O
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
InChIKeyQQQMUBLXDAFBRH-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

Propylene Glycol Monolaurate
CID 14870
Cetyl Lactate
CID 37098
Amyl lactate
CID 101145
Hexyl DL-lactate
CID 519757
Myristyl Lactate
CID 64676
2-Hydroxypropyl heptanoate
CID 97913
Hexanoic acid, 2-hydroxy-, ethyl ester
CID 103589
Propanoic acid, 2-hydroxy-, octyl ester
CID 95499
Propanoic acid, 2-hydroxy-, octyl ester, (2S)-
CID 170994
2-(2-Octoxyethoxy)acetic acid
CID 4049161
Isostearyl lactate
CID 6451828
Poly(oxy-1,2-ethanediyl), alpha-(carboxymethyl)-omega-(undecyloxy)-
CID 121596036

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-hydroxypropanoate?
The IUPAC name of dodecyl 2-hydroxypropanoate (CID 22692) is dodecyl 2-hydroxypropanoate.
What is the SMILES notation for dodecyl 2-hydroxypropanoate?
The canonical SMILES for dodecyl 2-hydroxypropanoate is CCCCCCCCCCCCOC(=O)C(C)O.
What is the InChIKey of dodecyl 2-hydroxypropanoate?
The InChIKey is QQQMUBLXDAFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3.
What are the key properties of dodecyl 2-hydroxypropanoate?
dodecyl 2-hydroxypropanoate 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 dodecyl 2-hydroxypropanoate is sourced from PubChem (CID 22692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).