4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid

C12H22O3 — CID 65162425

IUPAC4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
SMILESCC(C)CC(CCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22O3/c1-9(2)8-10(12(13)14)5-6-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyRZPBWYADXJHXLT-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.69
Rot. Bonds6

About 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid

4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid (PubChem CID 65162425) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
PubChem CID65162425
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
SMILESCC(C)CC(CCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22O3/c1-9(2)8-10(12(13)14)5-6-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyRZPBWYADXJHXLT-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic 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

2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
CID 104681591
4-methyl-2-[3-(oxolan-2-yl)propylamino]pentanoic acid
CID 65162090
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
CID 104681070
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
6-amino-2-[3-(oxolan-2-yl)propyl]hexanoic acid
CID 104681592
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid (CID 65162425) is 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid is CC(C)CC(CCC1CCCO1)C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid?
The InChIKey is RZPBWYADXJHXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)8-10(12(13)14)5-6-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid?
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid is sourced from PubChem (CID 65162425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).