[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane

C20H28O5P2 — CID 138502892

IUPAC[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane
SMILESCCOP(OCC)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C20H28O5P2/c1-5-22-26(23-6-2)20(27(21,24-7-3)25-8-4)16-18-14-11-13-17-12-9-10-15-19(17)18/h9-16H,5-8H2,1-4H3/b20-16+
InChIKeyHRBCABCPSMZWIG-CAPFRKAQSA-N
MW410.39 g/mol
LogP6.79
Rot. Bonds11

About [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane

[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane (PubChem CID 138502892) has the molecular formula C20H28O5P2 and a molecular weight of 410.39 g/mol. Its IUPAC name is [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane.

Molecular Properties

Compound Name[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane
PubChem CID138502892
Molecular FormulaC20H28O5P2
Molecular Weight410.39 g/mol
Exact Mass410.14
IUPAC Name[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane
SMILESCCOP(OCC)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C20H28O5P2/c1-5-22-26(23-6-2)20(27(21,24-7-3)25-8-4)16-18-14-11-13-17-12-9-10-15-19(17)18/h9-16H,5-8H2,1-4H3/b20-16+
InChIKeyHRBCABCPSMZWIG-CAPFRKAQSA-N
XLogP6.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane?
The IUPAC name of [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane (CID 138502892) is [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane.
What is the SMILES notation for [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane?
The canonical SMILES for [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane is CCOP(OCC)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC.
What is the InChIKey of [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane?
The InChIKey is HRBCABCPSMZWIG-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H28O5P2/c1-5-22-26(23-6-2)20(27(21,24-7-3)25-8-4)16-18-14-11-13-17-12-9-10-15-19(17)18/h9-16H,5-8H2,1-4H3/b20-16+.
What are the key properties of [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane?
[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane has a molecular weight of 410.39 g/mol, XLogP of 6.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane is sourced from PubChem (CID 138502892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).