3-(oxolan-2-yl)butanoic acid

C8H14O3 — CID 3727496

IUPAC3-(oxolan-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCO1
InChIInChI=1S/C8H14O3/c1-6(5-8(9)10)7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyBRDOSYLBBARPLO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds3

About 3-(oxolan-2-yl)butanoic acid

3-(oxolan-2-yl)butanoic acid (PubChem CID 3727496) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(oxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)butanoic acid
PubChem CID3727496
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(oxolan-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCO1
InChIInChI=1S/C8H14O3/c1-6(5-8(9)10)7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyBRDOSYLBBARPLO-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,10-Dihydroxy-10-methyl-dodecan-4-olide
CID 25198820
2-Methyl-3-(oxolan-2-yl)propanoic acid
CID 10931706
2-(Propan-2-yl)oxane-4-carboxylic acid
CID 12640148
3-Methoxycyclohexanecarboxylic acid
CID 3702280
Methyl 3-hydroxycyclohexane-1-carboxylate
CID 12209242
2(3H)-Furanone, dihydro-5-(5-methoxy-1,5-dimethylhexyl)-
CID 108532
5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid
CID 131751114
4-Butyloxolan-2-one
CID 12735706
2(3H)-Furanone, dihydro-5-(2-methylpropyl)-
CID 86732
8-Oxabicyclo(3.2.1)octane-3-carboxylic acid
CID 273829
2-propyloxane-4-carboxylic Acid
CID 3619356
5-Oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)butanoic acid?
The IUPAC name of 3-(oxolan-2-yl)butanoic acid (CID 3727496) is 3-(oxolan-2-yl)butanoic acid.
What is the SMILES notation for 3-(oxolan-2-yl)butanoic acid?
The canonical SMILES for 3-(oxolan-2-yl)butanoic acid is CC(CC(=O)O)C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)butanoic acid?
The InChIKey is BRDOSYLBBARPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(5-8(9)10)7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(oxolan-2-yl)butanoic acid?
3-(oxolan-2-yl)butanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)butanoic acid is sourced from PubChem (CID 3727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).