2-(2-hydroxypropanoyloxy)propanoyl octanoate

C14H24O6 — CID 54223275

IUPAC2-(2-hydroxypropanoyloxy)propanoyl octanoate
SMILESCCCCCCCC(=O)OC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C14H24O6/c1-4-5-6-7-8-9-12(16)20-14(18)11(3)19-13(17)10(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQECKZEFHKRNJLS-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.73
Rot. Bonds9

About 2-(2-hydroxypropanoyloxy)propanoyl octanoate

2-(2-hydroxypropanoyloxy)propanoyl octanoate (PubChem CID 54223275) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-hydroxypropanoyloxy)propanoyl octanoate.

Molecular Properties

Compound Name2-(2-hydroxypropanoyloxy)propanoyl octanoate
PubChem CID54223275
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-(2-hydroxypropanoyloxy)propanoyl octanoate
SMILESCCCCCCCC(=O)OC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C14H24O6/c1-4-5-6-7-8-9-12(16)20-14(18)11(3)19-13(17)10(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQECKZEFHKRNJLS-UHFFFAOYSA-N
XLogP1.73
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
CID 172741871
CID 172741871
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 87243127
CID 87243127
CID 172853270
CID 172853270
sodium;hydride;2-hydroxypropanoyl hexanoate
CID 173099387
3-oxotetradecan-2-yl 2-hydroxypropanoate
CID 88846031
[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
calcium;hydride;2-hydroxypropanoyl (Z)-octadec-9-enoate
CID 174485858
CID 175702847
CID 175702847
tetradecanoyl 2-hexyldecanoate
CID 175257900
heptanoyl 2-octyldodecanoate
CID 135235632

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropanoyloxy)propanoyl octanoate?
The IUPAC name of 2-(2-hydroxypropanoyloxy)propanoyl octanoate (CID 54223275) is 2-(2-hydroxypropanoyloxy)propanoyl octanoate.
What is the SMILES notation for 2-(2-hydroxypropanoyloxy)propanoyl octanoate?
The canonical SMILES for 2-(2-hydroxypropanoyloxy)propanoyl octanoate is CCCCCCCC(=O)OC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of 2-(2-hydroxypropanoyloxy)propanoyl octanoate?
The InChIKey is QECKZEFHKRNJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-5-6-7-8-9-12(16)20-14(18)11(3)19-13(17)10(2)15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2-(2-hydroxypropanoyloxy)propanoyl octanoate?
2-(2-hydroxypropanoyloxy)propanoyl octanoate has a molecular weight of 288.34 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropanoyloxy)propanoyl octanoate is sourced from PubChem (CID 54223275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).