4-cyclobutyloxybut-2-enoic acid

C8H12O3 — CID 76940507

IUPAC4-cyclobutyloxybut-2-enoic acid
SMILESO=C(O)C=CCOC1CCC1
InChIInChI=1S/C8H12O3/c9-8(10)5-2-6-11-7-3-1-4-7/h2,5,7H,1,3-4,6H2,(H,9,10)
InChIKeySUYVSFIHBKWPTM-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.20
Rot. Bonds4

About 4-cyclobutyloxybut-2-enoic acid

4-cyclobutyloxybut-2-enoic acid (PubChem CID 76940507) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-cyclobutyloxybut-2-enoic acid.

Molecular Properties

Compound Name4-cyclobutyloxybut-2-enoic acid
PubChem CID76940507
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-cyclobutyloxybut-2-enoic acid
SMILESO=C(O)C=CCOC1CCC1
InChIInChI=1S/C8H12O3/c9-8(10)5-2-6-11-7-3-1-4-7/h2,5,7H,1,3-4,6H2,(H,9,10)
InChIKeySUYVSFIHBKWPTM-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxybut-2-enoic acid?
The IUPAC name of 4-cyclobutyloxybut-2-enoic acid (CID 76940507) is 4-cyclobutyloxybut-2-enoic acid.
What is the SMILES notation for 4-cyclobutyloxybut-2-enoic acid?
The canonical SMILES for 4-cyclobutyloxybut-2-enoic acid is O=C(O)C=CCOC1CCC1.
What is the InChIKey of 4-cyclobutyloxybut-2-enoic acid?
The InChIKey is SUYVSFIHBKWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)5-2-6-11-7-3-1-4-7/h2,5,7H,1,3-4,6H2,(H,9,10).
What are the key properties of 4-cyclobutyloxybut-2-enoic acid?
4-cyclobutyloxybut-2-enoic acid has a molecular weight of 156.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxybut-2-enoic acid is sourced from PubChem (CID 76940507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).