3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid

C9H16O5 — CID 103377964

IUPAC3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCOC1
InChIInChI=1S/C9H16O5/c1-6(10)7(2)14-9(8(11)12)3-4-13-5-9/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyZNAKNZOWZOIJSU-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.02
Rot. Bonds4

About 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid

3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid (PubChem CID 103377964) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
PubChem CID103377964
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCOC1
InChIInChI=1S/C9H16O5/c1-6(10)7(2)14-9(8(11)12)3-4-13-5-9/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyZNAKNZOWZOIJSU-UHFFFAOYSA-N
XLogP0.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
4-(3-hydroxybutan-2-yloxy)-2-methyloxane-4-carboxylic acid
CID 103377725
4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid
CID 103377739
1-(3-hydroxybutan-2-yloxy)-4-methoxycyclohexane-1-carboxylic acid
CID 103377847
methyl 3-propan-2-yloxyoxolane-3-carboxylate
CID 122164212
3-methoxy-N-propan-2-yloxolane-3-carboxamide
CID 127002234
3-(3-hydroxybutan-2-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 103377903
3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid
CID 103377770
4-ethoxyoxane-4-carboxylic acid
CID 78969464
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid (CID 103377964) is 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid is CC(O)C(C)OC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid?
The InChIKey is ZNAKNZOWZOIJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-6(10)7(2)14-9(8(11)12)3-4-13-5-9/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid?
3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid is sourced from PubChem (CID 103377964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).