2-diethoxyphosphorylprop-2-enal

C7H13O4P — CID 10888762

IUPAC2-diethoxyphosphorylprop-2-enal
SMILESC=C(C=O)P(=O)(OCC)OCC
InChIInChI=1S/C7H13O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6H,3-5H2,1-2H3
InChIKeyWWIHQOPOKTVIER-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.97
Rot. Bonds6

About 2-diethoxyphosphorylprop-2-enal

2-diethoxyphosphorylprop-2-enal (PubChem CID 10888762) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is 2-diethoxyphosphorylprop-2-enal.

Molecular Properties

Compound Name2-diethoxyphosphorylprop-2-enal
PubChem CID10888762
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name2-diethoxyphosphorylprop-2-enal
SMILESC=C(C=O)P(=O)(OCC)OCC
InChIInChI=1S/C7H13O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6H,3-5H2,1-2H3
InChIKeyWWIHQOPOKTVIER-UHFFFAOYSA-N
XLogP1.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-chloro-1-diethoxyphosphorylethene
CID 11481045
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylprop-2-enal?
The IUPAC name of 2-diethoxyphosphorylprop-2-enal (CID 10888762) is 2-diethoxyphosphorylprop-2-enal.
What is the SMILES notation for 2-diethoxyphosphorylprop-2-enal?
The canonical SMILES for 2-diethoxyphosphorylprop-2-enal is C=C(C=O)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylprop-2-enal?
The InChIKey is WWIHQOPOKTVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylprop-2-enal?
2-diethoxyphosphorylprop-2-enal has a molecular weight of 192.15 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylprop-2-enal is sourced from PubChem (CID 10888762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).