2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C8H10O3P2 — CID 123624248

IUPAC2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESO=PCC1=C(CP=O)C2CCC1O2
InChIInChI=1S/C8H10O3P2/c9-12-3-5-6(4-13-10)8-2-1-7(5)11-8/h7-8H,1-4H2
InChIKeyMUQGDUQPUXIHPH-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.43
Rot. Bonds4

About 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene

2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 123624248) has the molecular formula C8H10O3P2 and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID123624248
Molecular FormulaC8H10O3P2
Molecular Weight216.11 g/mol
Exact Mass216.01
IUPAC Name2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESO=PCC1=C(CP=O)C2CCC1O2
InChIInChI=1S/C8H10O3P2/c9-12-3-5-6(4-13-10)8-2-1-7(5)11-8/h7-8H,1-4H2
InChIKeyMUQGDUQPUXIHPH-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 123624248) is 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene is O=PCC1=C(CP=O)C2CCC1O2.
What is the InChIKey of 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is MUQGDUQPUXIHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3P2/c9-12-3-5-6(4-13-10)8-2-1-7(5)11-8/h7-8H,1-4H2.
What are the key properties of 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 216.11 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 123624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).