2-hydroxy-3-nonyloxirane-2-carboxylic acid

C12H22O4 — CID 141294502

IUPAC2-hydroxy-3-nonyloxirane-2-carboxylic acid
SMILESCCCCCCCCCC1OC1(O)C(=O)O
InChIInChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10-12(15,16-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyDVJVYPNOZNESMS-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.30
Rot. Bonds9

About 2-hydroxy-3-nonyloxirane-2-carboxylic acid

2-hydroxy-3-nonyloxirane-2-carboxylic acid (PubChem CID 141294502) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-hydroxy-3-nonyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-nonyloxirane-2-carboxylic acid
PubChem CID141294502
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-hydroxy-3-nonyloxirane-2-carboxylic acid
SMILESCCCCCCCCCC1OC1(O)C(=O)O
InChIInChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10-12(15,16-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyDVJVYPNOZNESMS-UHFFFAOYSA-N
XLogP2.30
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-3-nonyloxirane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexadecyloxirane-2,2-diol
CID 18949694
2-butyl-3-pentadecyloxirane-2-carboxylic acid
CID 22078452
3-heptyl-2-methyloxiran-2-amine
CID 74220849
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
2-hexyl-5-methyl-1,3-dioxane-5-carboxylic acid
CID 3477078
2-[9-(2,2-dimethyl-5-pentyl-1,3-dioxolan-4-yl)nonyl]-4,4-dimethyl-1,3-dioxetane-2-carboxylic acid
CID 67840140
methyl 11-(3-hydroxy-3-pentyloxiran-2-yl)undecanoate
CID 22404587
1-[(1S,2S,4S,5S)-4-heptyl-2-hydroxy-5-iodo-2-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]ethanone
CID 102396502
2-octyl-2-(2-octyl-3-pentadecyloxirane-2-carbonyl)octadecanoic acid
CID 166007611
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
ethyl 4-[(2R,3S)-3-decyl-2-(hydroxymethyl)oxiran-2-yl]butanoate
CID 11393314

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nonyloxirane-2-carboxylic acid?
The IUPAC name of 2-hydroxy-3-nonyloxirane-2-carboxylic acid (CID 141294502) is 2-hydroxy-3-nonyloxirane-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-nonyloxirane-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-nonyloxirane-2-carboxylic acid is CCCCCCCCCC1OC1(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-nonyloxirane-2-carboxylic acid?
The InChIKey is DVJVYPNOZNESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10-12(15,16-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-3-nonyloxirane-2-carboxylic acid?
2-hydroxy-3-nonyloxirane-2-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nonyloxirane-2-carboxylic acid is sourced from PubChem (CID 141294502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).