4-cyclobutyloxyoxane-4-carboxylic acid

C10H16O4 — CID 82237407

IUPAC4-cyclobutyloxyoxane-4-carboxylic acid
SMILESO=C(O)C1(OC2CCC2)CCOCC1
InChIInChI=1S/C10H16O4/c11-9(12)10(4-6-13-7-5-10)14-8-2-1-3-8/h8H,1-7H2,(H,11,12)
InChIKeyZKVOQPMFCPBEEV-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.19
Rot. Bonds3

About 4-cyclobutyloxyoxane-4-carboxylic acid

4-cyclobutyloxyoxane-4-carboxylic acid (PubChem CID 82237407) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-cyclobutyloxyoxane-4-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyloxyoxane-4-carboxylic acid
PubChem CID82237407
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-cyclobutyloxyoxane-4-carboxylic acid
SMILESO=C(O)C1(OC2CCC2)CCOCC1
InChIInChI=1S/C10H16O4/c11-9(12)10(4-6-13-7-5-10)14-8-2-1-3-8/h8H,1-7H2,(H,11,12)
InChIKeyZKVOQPMFCPBEEV-UHFFFAOYSA-N
XLogP1.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxyoxane-4-carboxylic acid?
The IUPAC name of 4-cyclobutyloxyoxane-4-carboxylic acid (CID 82237407) is 4-cyclobutyloxyoxane-4-carboxylic acid.
What is the SMILES notation for 4-cyclobutyloxyoxane-4-carboxylic acid?
The canonical SMILES for 4-cyclobutyloxyoxane-4-carboxylic acid is O=C(O)C1(OC2CCC2)CCOCC1.
What is the InChIKey of 4-cyclobutyloxyoxane-4-carboxylic acid?
The InChIKey is ZKVOQPMFCPBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)10(4-6-13-7-5-10)14-8-2-1-3-8/h8H,1-7H2,(H,11,12).
What are the key properties of 4-cyclobutyloxyoxane-4-carboxylic acid?
4-cyclobutyloxyoxane-4-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxyoxane-4-carboxylic acid is sourced from PubChem (CID 82237407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).