2-(2,5-dimethyloxolan-3-yl)acetic acid

C8H14O3 — CID 131017929

IUPAC2-(2,5-dimethyloxolan-3-yl)acetic acid
SMILESCC1CC(CC(=O)O)C(C)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(4-8(9)10)6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyBOZSGCWRJBXJKP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.27
Rot. Bonds2

About 2-(2,5-dimethyloxolan-3-yl)acetic acid

2-(2,5-dimethyloxolan-3-yl)acetic acid (PubChem CID 131017929) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2,5-dimethyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyloxolan-3-yl)acetic acid
PubChem CID131017929
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(2,5-dimethyloxolan-3-yl)acetic acid
SMILESCC1CC(CC(=O)O)C(C)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(4-8(9)10)6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyBOZSGCWRJBXJKP-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyloxolan-3-yl)acetic acid?
The IUPAC name of 2-(2,5-dimethyloxolan-3-yl)acetic acid (CID 131017929) is 2-(2,5-dimethyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(2,5-dimethyloxolan-3-yl)acetic acid is CC1CC(CC(=O)O)C(C)O1.
What is the InChIKey of 2-(2,5-dimethyloxolan-3-yl)acetic acid?
The InChIKey is BOZSGCWRJBXJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-7(4-8(9)10)6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(2,5-dimethyloxolan-3-yl)acetic acid?
2-(2,5-dimethyloxolan-3-yl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyloxolan-3-yl)acetic acid is sourced from PubChem (CID 131017929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).