1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene

C19H26O5P2 — CID 130466238

IUPAC1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene
SMILESCCOP(C)(=O)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C19H26O5P2/c1-5-22-25(4,20)19(26(21,23-6-2)24-7-3)15-17-13-10-12-16-11-8-9-14-18(16)17/h8-15H,5-7H2,1-4H3/b19-15+
InChIKeySQZFDSZMCBKAMX-XDJHFCHBSA-N
MW396.36 g/mol
LogP6.35
Rot. Bonds9

About 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene

1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene (PubChem CID 130466238) has the molecular formula C19H26O5P2 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene
PubChem CID130466238
Molecular FormulaC19H26O5P2
Molecular Weight396.36 g/mol
Exact Mass396.13
IUPAC Name1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene
SMILESCCOP(C)(=O)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C19H26O5P2/c1-5-22-25(4,20)19(26(21,23-6-2)24-7-3)15-17-13-10-12-16-11-8-9-14-18(16)17/h8-15H,5-7H2,1-4H3/b19-15+
InChIKeySQZFDSZMCBKAMX-XDJHFCHBSA-N
XLogP6.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 56.35
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 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene (CID 130466238) is 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene is CCOP(C)(=O)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC.
What is the InChIKey of 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene?
The InChIKey is SQZFDSZMCBKAMX-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H26O5P2/c1-5-22-25(4,20)19(26(21,23-6-2)24-7-3)15-17-13-10-12-16-11-8-9-14-18(16)17/h8-15H,5-7H2,1-4H3/b19-15+.
What are the key properties of 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene?
1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene has a molecular weight of 396.36 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene is sourced from PubChem (CID 130466238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).