2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid

C15H24O5 — CID 87233808

IUPAC2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid
SMILESC1CCC(OOC2CC3CCC2C3)OC1.C=CC(=O)O
InChIInChI=1S/C12H20O3.C3H4O2/c1-2-6-13-12(3-1)15-14-11-8-9-4-5-10(11)7-9;1-2-3(4)5/h9-12H,1-8H2;2H,1H2,(H,4,5)
InChIKeyGBWYSXDDYJXNFE-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid

2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid (PubChem CID 87233808) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid
PubChem CID87233808
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid
SMILESC1CCC(OOC2CC3CCC2C3)OC1.C=CC(=O)O
InChIInChI=1S/C12H20O3.C3H4O2/c1-2-6-13-12(3-1)15-14-11-8-9-4-5-10(11)7-9;1-2-3(4)5/h9-12H,1-8H2;2H,1H2,(H,4,5)
InChIKeyGBWYSXDDYJXNFE-UHFFFAOYSA-N
XLogP2.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid (CID 87233808) is 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid is C1CCC(OOC2CC3CCC2C3)OC1.C=CC(=O)O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid?
The InChIKey is GBWYSXDDYJXNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3.C3H4O2/c1-2-6-13-12(3-1)15-14-11-8-9-4-5-10(11)7-9;1-2-3(4)5/h9-12H,1-8H2;2H,1H2,(H,4,5).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid?
2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylperoxy)oxane;prop-2-enoic acid is sourced from PubChem (CID 87233808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).