2,3-bis(diethoxyphosphoryl)buta-1,3-diene

C12H24O6P2 — CID 23364349

IUPAC2,3-bis(diethoxyphosphoryl)buta-1,3-diene
SMILESC=C(C(=C)P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H24O6P2/c1-7-15-19(13,16-8-2)11(5)12(6)20(14,17-9-3)18-10-4/h5-10H2,1-4H3
InChIKeyOOUVWKWFPOODNY-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.55
Rot. Bonds11

About 2,3-bis(diethoxyphosphoryl)buta-1,3-diene

2,3-bis(diethoxyphosphoryl)buta-1,3-diene (PubChem CID 23364349) has the molecular formula C12H24O6P2 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2,3-bis(diethoxyphosphoryl)buta-1,3-diene.

Molecular Properties

Compound Name2,3-bis(diethoxyphosphoryl)buta-1,3-diene
PubChem CID23364349
Molecular FormulaC12H24O6P2
Molecular Weight326.27 g/mol
Exact Mass326.10
IUPAC Name2,3-bis(diethoxyphosphoryl)buta-1,3-diene
SMILESC=C(C(=C)P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H24O6P2/c1-7-15-19(13,16-8-2)11(5)12(6)20(14,17-9-3)18-10-4/h5-10H2,1-4H3
InChIKeyOOUVWKWFPOODNY-UHFFFAOYSA-N
XLogP4.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-diethoxyphosphorylethene
CID 11481045
2-diethoxyphosphorylprop-2-enal
CID 10888762
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 14941296
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
1-diethoxyphosphoryl-N-propan-2-ylethanimine
CID 151285044
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
CID 102104724
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(diethoxyphosphoryl)buta-1,3-diene?
The IUPAC name of 2,3-bis(diethoxyphosphoryl)buta-1,3-diene (CID 23364349) is 2,3-bis(diethoxyphosphoryl)buta-1,3-diene.
What is the SMILES notation for 2,3-bis(diethoxyphosphoryl)buta-1,3-diene?
The canonical SMILES for 2,3-bis(diethoxyphosphoryl)buta-1,3-diene is C=C(C(=C)P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 2,3-bis(diethoxyphosphoryl)buta-1,3-diene?
The InChIKey is OOUVWKWFPOODNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6P2/c1-7-15-19(13,16-8-2)11(5)12(6)20(14,17-9-3)18-10-4/h5-10H2,1-4H3.
What are the key properties of 2,3-bis(diethoxyphosphoryl)buta-1,3-diene?
2,3-bis(diethoxyphosphoryl)buta-1,3-diene has a molecular weight of 326.27 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(diethoxyphosphoryl)buta-1,3-diene is sourced from PubChem (CID 23364349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).