1-diethoxyphosphoryl-2-ethenoxyethane

C8H17O4P — CID 122631477

IUPAC1-diethoxyphosphoryl-2-ethenoxyethane
SMILESC=COCCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLRGIKFGGCVETGD-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.41
Rot. Bonds8

About 1-diethoxyphosphoryl-2-ethenoxyethane

1-diethoxyphosphoryl-2-ethenoxyethane (PubChem CID 122631477) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-ethenoxyethane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-ethenoxyethane
PubChem CID122631477
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-diethoxyphosphoryl-2-ethenoxyethane
SMILESC=COCCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLRGIKFGGCVETGD-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diethoxyphosphoryl-2-ethoxyethene
CID 5776818
Dipropyl vinylphosphonate
CID 12481073
Diethyl (2,2-diethoxyethenyl)phosphonate
CID 13523156
1-(1-Diethoxyphosphoryl-ethenoxy)-ethane
CID 2784304
Ethoxyvinylphosphonic acid
CID 85956220
1,1-Bis(diethoxyphosphoryl)-2-methoxyethene
CID 88050220
1-[(E)-2-diethoxyphosphorylethenoxy]butane
CID 12602192
(E)-2-diethoxyphosphoryl-1-ethoxyethenolate
CID 12745883
lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate
CID 23674806
sodium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate
CID 23685411
Dimethyl beta-ethoxyvinylphosphonate
CID 85401081
Diethyl 2-(diethoxyphosphoryl)ethenyl phosphate
CID 85968017

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-ethenoxyethane?
The IUPAC name of 1-diethoxyphosphoryl-2-ethenoxyethane (CID 122631477) is 1-diethoxyphosphoryl-2-ethenoxyethane.
What is the SMILES notation for 1-diethoxyphosphoryl-2-ethenoxyethane?
The canonical SMILES for 1-diethoxyphosphoryl-2-ethenoxyethane is C=COCCP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-ethenoxyethane?
The InChIKey is LRGIKFGGCVETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-ethenoxyethane?
1-diethoxyphosphoryl-2-ethenoxyethane has a molecular weight of 208.19 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-ethenoxyethane is sourced from PubChem (CID 122631477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).