2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H20O4 — CID 20736041

IUPAC2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(OC(=O)C1CC2C=CC1C2)C1CCC(=O)O1
InChIInChI=1S/C15H20O4/c1-15(2,12-5-6-13(16)18-12)19-14(17)11-8-9-3-4-10(11)7-9/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLGHULADIXNCINF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds3

About 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 20736041) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID20736041
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(OC(=O)C1CC2C=CC1C2)C1CCC(=O)O1
InChIInChI=1S/C15H20O4/c1-15(2,12-5-6-13(16)18-12)19-14(17)11-8-9-3-4-10(11)7-9/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLGHULADIXNCINF-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 20736041) is 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(C)(OC(=O)C1CC2C=CC1C2)C1CCC(=O)O1.
What is the InChIKey of 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is LGHULADIXNCINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2,12-5-6-13(16)18-12)19-14(17)11-8-9-3-4-10(11)7-9/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 20736041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).