2-acetyloxy-2-decanoyloxyacetic acid

C14H24O6 — CID 19745425

IUPAC2-acetyloxy-2-decanoyloxyacetic acid
SMILESCCCCCCCCCC(=O)OC(OC(C)=O)C(=O)O
InChIInChI=1S/C14H24O6/c1-3-4-5-6-7-8-9-10-12(16)20-14(13(17)18)19-11(2)15/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeyURFLTOHDZZWRGX-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.64
Rot. Bonds11

About 2-acetyloxy-2-decanoyloxyacetic acid

2-acetyloxy-2-decanoyloxyacetic acid (PubChem CID 19745425) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-acetyloxy-2-decanoyloxyacetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-decanoyloxyacetic acid
PubChem CID19745425
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-acetyloxy-2-decanoyloxyacetic acid
SMILESCCCCCCCCCC(=O)OC(OC(C)=O)C(=O)O
InChIInChI=1S/C14H24O6/c1-3-4-5-6-7-8-9-10-12(16)20-14(13(17)18)19-11(2)15/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeyURFLTOHDZZWRGX-UHFFFAOYSA-N
XLogP2.64
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Octadecanoic acid, hydroxy-, 2-hydroxyethyl ester
CID 118116
(Hexadecanoyloxy)acetic acid
CID 96877
alpha-Acetoxyoctanoic acid
CID 22420039
Carboxymethyl stearate
CID 79834
2-(Dodecanoyloxy)acetic acid
CID 9859940
2-Decanoyloxyacetic acid
CID 10198511
Octanoyloxy Acetic Acid
CID 14766554
(Tetradecanoyloxy)acetic acid
CID 57481508
Monoarachidin
CID 132936393
2-O-lauroyl lactic acid
CID 179542
1,2-Dihydroxypropyl dodecanoate
CID 10221185
1,2-Dihydroxypropyl decanoate
CID 19084864

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-decanoyloxyacetic acid?
The IUPAC name of 2-acetyloxy-2-decanoyloxyacetic acid (CID 19745425) is 2-acetyloxy-2-decanoyloxyacetic acid.
What is the SMILES notation for 2-acetyloxy-2-decanoyloxyacetic acid?
The canonical SMILES for 2-acetyloxy-2-decanoyloxyacetic acid is CCCCCCCCCC(=O)OC(OC(C)=O)C(=O)O.
What is the InChIKey of 2-acetyloxy-2-decanoyloxyacetic acid?
The InChIKey is URFLTOHDZZWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-3-4-5-6-7-8-9-10-12(16)20-14(13(17)18)19-11(2)15/h14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-acetyloxy-2-decanoyloxyacetic acid?
2-acetyloxy-2-decanoyloxyacetic acid has a molecular weight of 288.34 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-decanoyloxyacetic acid is sourced from PubChem (CID 19745425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).