3-propan-2-yloxyoxolane-3-carboxylic acid

C8H14O4 — CID 115014247

IUPAC3-propan-2-yloxyoxolane-3-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCOC1
InChIInChI=1S/C8H14O4/c1-6(2)12-8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKCBQLROLGFBFSA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds3

About 3-propan-2-yloxyoxolane-3-carboxylic acid

3-propan-2-yloxyoxolane-3-carboxylic acid (PubChem CID 115014247) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-propan-2-yloxyoxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yloxyoxolane-3-carboxylic acid
PubChem CID115014247
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-propan-2-yloxyoxolane-3-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCOC1
InChIInChI=1S/C8H14O4/c1-6(2)12-8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKCBQLROLGFBFSA-UHFFFAOYSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxyoxolane-3-carboxylic acid?
The IUPAC name of 3-propan-2-yloxyoxolane-3-carboxylic acid (CID 115014247) is 3-propan-2-yloxyoxolane-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yloxyoxolane-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yloxyoxolane-3-carboxylic acid is CC(C)OC1(C(=O)O)CCOC1.
What is the InChIKey of 3-propan-2-yloxyoxolane-3-carboxylic acid?
The InChIKey is KCBQLROLGFBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(2)12-8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yloxyoxolane-3-carboxylic acid?
3-propan-2-yloxyoxolane-3-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxyoxolane-3-carboxylic acid is sourced from PubChem (CID 115014247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).