3-oxotetradecan-2-yl 2-hydroxypropanoate

C17H32O4 — CID 88846031

IUPAC3-oxotetradecan-2-yl 2-hydroxypropanoate
SMILESCCCCCCCCCCCC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C17H32O4/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(3)21-17(20)14(2)18/h14-15,18H,4-13H2,1-3H3
InChIKeyJTLDMAWGIPVWMF-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.79
Rot. Bonds13

About 3-oxotetradecan-2-yl 2-hydroxypropanoate

3-oxotetradecan-2-yl 2-hydroxypropanoate (PubChem CID 88846031) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-oxotetradecan-2-yl 2-hydroxypropanoate.

Molecular Properties

Compound Name3-oxotetradecan-2-yl 2-hydroxypropanoate
PubChem CID88846031
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name3-oxotetradecan-2-yl 2-hydroxypropanoate
SMILESCCCCCCCCCCCC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C17H32O4/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(3)21-17(20)14(2)18/h14-15,18H,4-13H2,1-3H3
InChIKeyJTLDMAWGIPVWMF-UHFFFAOYSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-oxopentadecan-2-yl] acetate
CID 101242684
2-(2-hydroxypropanoyloxy)propanoyl octanoate
CID 54223275
2-hydroxyicosan-3-one
CID 57023276
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
decan-2-yl 2-hydroxypropanoate
CID 118918104
2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
CID 172741871
CID 172741871
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 87243127
CID 87243127
CID 172853270
CID 172853270
(1-octadec-9-enoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
CID 90964369
2,3-bis[[(2S)-2-hydroxypropanoyl]oxy]propyl hexadecanoate
CID 168851037

Frequently Asked Questions

What is the IUPAC name of 3-oxotetradecan-2-yl 2-hydroxypropanoate?
The IUPAC name of 3-oxotetradecan-2-yl 2-hydroxypropanoate (CID 88846031) is 3-oxotetradecan-2-yl 2-hydroxypropanoate.
What is the SMILES notation for 3-oxotetradecan-2-yl 2-hydroxypropanoate?
The canonical SMILES for 3-oxotetradecan-2-yl 2-hydroxypropanoate is CCCCCCCCCCCC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of 3-oxotetradecan-2-yl 2-hydroxypropanoate?
The InChIKey is JTLDMAWGIPVWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(3)21-17(20)14(2)18/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 3-oxotetradecan-2-yl 2-hydroxypropanoate?
3-oxotetradecan-2-yl 2-hydroxypropanoate has a molecular weight of 300.44 g/mol, XLogP of 3.79, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxotetradecan-2-yl 2-hydroxypropanoate is sourced from PubChem (CID 88846031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).