2-nonanoyloxyacetic acid

C11H20O4 — CID 19734907

IUPAC2-nonanoyloxyacetic acid
SMILESCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-11(14)15-9-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyLHPYTCQQQYNBKH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.36
Rot. Bonds9

About 2-nonanoyloxyacetic acid

2-nonanoyloxyacetic acid (PubChem CID 19734907) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-nonanoyloxyacetic acid.

Molecular Properties

Compound Name2-nonanoyloxyacetic acid
PubChem CID19734907
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-nonanoyloxyacetic acid
SMILESCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-11(14)15-9-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyLHPYTCQQQYNBKH-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.36
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

2-undecanoyloxyacetic acid
CID 88767061
2-tetracosanoyloxyacetic acid
CID 88765616
(2-chloro-2-oxoethyl) octadecanoate;2-octadecanoyloxyacetic acid
CID 159608143
(3-heptanoyloxy-2-oxopropyl) heptanoate
CID 134318597
2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid
CID 162035177
ethyl octanoate;octanoic acid
CID 18625122
ethyl tetradecanoate
CID 89052756
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
2-henicosanoyloxyethyl henicosanoate
CID 54483902

Frequently Asked Questions

What is the IUPAC name of 2-nonanoyloxyacetic acid?
The IUPAC name of 2-nonanoyloxyacetic acid (CID 19734907) is 2-nonanoyloxyacetic acid.
What is the SMILES notation for 2-nonanoyloxyacetic acid?
The canonical SMILES for 2-nonanoyloxyacetic acid is CCCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-nonanoyloxyacetic acid?
The InChIKey is LHPYTCQQQYNBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-11(14)15-9-10(12)13/h2-9H2,1H3,(H,12,13).
What are the key properties of 2-nonanoyloxyacetic acid?
2-nonanoyloxyacetic acid has a molecular weight of 216.28 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonanoyloxyacetic acid is sourced from PubChem (CID 19734907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).