phenyl bis(prop-2-enyl) phosphite

C12H15O3P — CID 22619358

IUPACphenyl bis(prop-2-enyl) phosphite
SMILESC=CCOP(OCC=C)Oc1ccccc1
InChIInChI=1S/C12H15O3P/c1-3-10-13-16(14-11-4-2)15-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeySIEKZSHZGZNHGT-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.70
Rot. Bonds8

About phenyl bis(prop-2-enyl) phosphite

phenyl bis(prop-2-enyl) phosphite (PubChem CID 22619358) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is phenyl bis(prop-2-enyl) phosphite.

Molecular Properties

Compound Namephenyl bis(prop-2-enyl) phosphite
PubChem CID22619358
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Namephenyl bis(prop-2-enyl) phosphite
SMILESC=CCOP(OCC=C)Oc1ccccc1
InChIInChI=1S/C12H15O3P/c1-3-10-13-16(14-11-4-2)15-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeySIEKZSHZGZNHGT-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.70
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 phenyl bis(prop-2-enyl) phosphite?
The IUPAC name of phenyl bis(prop-2-enyl) phosphite (CID 22619358) is phenyl bis(prop-2-enyl) phosphite.
What is the SMILES notation for phenyl bis(prop-2-enyl) phosphite?
The canonical SMILES for phenyl bis(prop-2-enyl) phosphite is C=CCOP(OCC=C)Oc1ccccc1.
What is the InChIKey of phenyl bis(prop-2-enyl) phosphite?
The InChIKey is SIEKZSHZGZNHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c1-3-10-13-16(14-11-4-2)15-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of phenyl bis(prop-2-enyl) phosphite?
phenyl bis(prop-2-enyl) phosphite has a molecular weight of 238.22 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl bis(prop-2-enyl) phosphite is sourced from PubChem (CID 22619358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).