1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid

C15H22O4 — CID 175728507

IUPAC1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid
SMILESC1CCC2(C34CCCCC3O4)OC2C1.C=CC(=O)O
InChIInChI=1S/C12H18O2.C3H4O2/c1-3-7-11(9(5-1)13-11)12-8-4-2-6-10(12)14-12;1-2-3(4)5/h9-10H,1-8H2;2H,1H2,(H,4,5)
InChIKeyBYUSYYZXMHDVOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.67
Rot. Bonds2

About 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid

1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid (PubChem CID 175728507) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid.

Molecular Properties

Compound Name1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid
PubChem CID175728507
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid
SMILESC1CCC2(C34CCCCC3O4)OC2C1.C=CC(=O)O
InChIInChI=1S/C12H18O2.C3H4O2/c1-3-7-11(9(5-1)13-11)12-8-4-2-6-10(12)14-12;1-2-3(4)5/h9-10H,1-8H2;2H,1H2,(H,4,5)
InChIKeyBYUSYYZXMHDVOD-UHFFFAOYSA-N
XLogP2.67
TPSA62.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid?
The IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid (CID 175728507) is 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid.
What is the SMILES notation for 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid?
The canonical SMILES for 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid is C1CCC2(C34CCCCC3O4)OC2C1.C=CC(=O)O.
What is the InChIKey of 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid?
The InChIKey is BYUSYYZXMHDVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C3H4O2/c1-3-7-11(9(5-1)13-11)12-8-4-2-6-10(12)14-12;1-2-3(4)5/h9-10H,1-8H2;2H,1H2,(H,4,5).
What are the key properties of 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid?
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane;prop-2-enoic acid is sourced from PubChem (CID 175728507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).