2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene

C20H30O6P2 — CID 102527414

IUPAC2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C20H30O6P2/c1-5-23-27(21,24-6-2)20(28(22,25-7-3)26-8-4)16-17-13-14-18-11-9-10-12-19(18)15-17/h9-15,20H,5-8,16H2,1-4H3
InChIKeyAFYITVZUAGOMNZ-UHFFFAOYSA-N
MW428.40 g/mol
LogP6.24
Rot. Bonds12

About 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene

2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene (PubChem CID 102527414) has the molecular formula C20H30O6P2 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene
PubChem CID102527414
Molecular FormulaC20H30O6P2
Molecular Weight428.40 g/mol
Exact Mass428.15
IUPAC Name2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene
SMILESCCOP(=O)(OCC)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C20H30O6P2/c1-5-23-27(21,24-6-2)20(28(22,25-7-3)26-8-4)16-17-13-14-18-11-9-10-12-19(18)15-17/h9-15,20H,5-8,16H2,1-4H3
InChIKeyAFYITVZUAGOMNZ-UHFFFAOYSA-N
XLogP6.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-(1-naphthalenylmethyl)phosphonate
CID 101271
P-(1-Naphthalenylmethyl)phosphonic acid
CID 96536
[(E)-3-methyl-5-(4-phenylphenyl)pent-2-enyl] phosphono hydrogen phosphate
CID 44280105
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695905
1-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695906
9-[2,2-Bis(diethoxyphosphoryl)ethenyl]anthracene
CID 130362615
[(E)-3-methyl-5-naphthalen-2-ylpent-2-enyl] phosphono hydrogen phosphate
CID 10407776
Phosphonic acid, (2-naphthalenylmethyl)-
CID 3696145
2-Naphthalen-1-ylethylphosphonic acid
CID 10082823
[Dimethoxyphosphoryl(naphthalen-2-yl)methyl] dimethyl phosphate
CID 13841524
[7-(Phosphonomethyl)naphthalen-2-yl]methylphosphonic acid
CID 18957696
Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)
CID 635132

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene?
The IUPAC name of 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene (CID 102527414) is 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene.
What is the SMILES notation for 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene?
The canonical SMILES for 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene is CCOP(=O)(OCC)C(Cc1ccc2ccccc2c1)P(=O)(OCC)OCC.
What is the InChIKey of 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene?
The InChIKey is AFYITVZUAGOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6P2/c1-5-23-27(21,24-6-2)20(28(22,25-7-3)26-8-4)16-17-13-14-18-11-9-10-12-19(18)15-17/h9-15,20H,5-8,16H2,1-4H3.
What are the key properties of 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene?
2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene has a molecular weight of 428.40 g/mol, XLogP of 6.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(diethoxyphosphoryl)ethyl]naphthalene is sourced from PubChem (CID 102527414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).