2-ethyl-3-(hydroxymethyl)nonanoic acid

C12H24O3 — CID 57216991

IUPAC2-ethyl-3-(hydroxymethyl)nonanoic acid
SMILESCCCCCCC(CO)C(CC)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-10(9-13)11(4-2)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWOOJDBYDIGCEKK-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.68
Rot. Bonds9

About 2-ethyl-3-(hydroxymethyl)nonanoic acid

2-ethyl-3-(hydroxymethyl)nonanoic acid (PubChem CID 57216991) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-3-(hydroxymethyl)nonanoic acid.

Molecular Properties

Compound Name2-ethyl-3-(hydroxymethyl)nonanoic acid
PubChem CID57216991
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethyl-3-(hydroxymethyl)nonanoic acid
SMILESCCCCCCC(CO)C(CC)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-10(9-13)11(4-2)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWOOJDBYDIGCEKK-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-(hydroxymethyl)nonanoic 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-ethyl-2-(hydroxymethyl)octanoic acid
CID 87114764
2-octadecan-9-ylhexadecanoic acid
CID 87963385
2-icosan-9-ylhexadecanoic acid
CID 87113563
2-decyl-3-hexyldodecanoic acid
CID 23064818
2-octadecan-7-ylhexadecanoic acid
CID 57023250
3-hexadecyl-2-tetradecylicosanoic acid
CID 87374965
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2,3-di(icosyl)butanedioic acid
CID 140519407
(2S,3S)-2-ethyl-3-[(1S,2S)-1,2,3-trihydroxypropyl]pentadecanoic acid
CID 140566992
2-ethyl-3-hydroxyoctanoic acid
CID 22508303
9-hydroxy-2,16-di(pentadecan-8-yl)heptadecanedioic acid
CID 172740616
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(hydroxymethyl)nonanoic acid?
The IUPAC name of 2-ethyl-3-(hydroxymethyl)nonanoic acid (CID 57216991) is 2-ethyl-3-(hydroxymethyl)nonanoic acid.
What is the SMILES notation for 2-ethyl-3-(hydroxymethyl)nonanoic acid?
The canonical SMILES for 2-ethyl-3-(hydroxymethyl)nonanoic acid is CCCCCCC(CO)C(CC)C(=O)O.
What is the InChIKey of 2-ethyl-3-(hydroxymethyl)nonanoic acid?
The InChIKey is WOOJDBYDIGCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-5-6-7-8-10(9-13)11(4-2)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-(hydroxymethyl)nonanoic acid?
2-ethyl-3-(hydroxymethyl)nonanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(hydroxymethyl)nonanoic acid is sourced from PubChem (CID 57216991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).