2-diethoxyphosphoryl-3-methoxyprop-1-ene

C8H17O4P — CID 13291224

IUPAC2-diethoxyphosphoryl-3-methoxyprop-1-ene
SMILESC=C(COC)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h3,5-7H2,1-2,4H3
InChIKeyIBHLHYXPHRCYJB-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.41
Rot. Bonds7

About 2-diethoxyphosphoryl-3-methoxyprop-1-ene

2-diethoxyphosphoryl-3-methoxyprop-1-ene (PubChem CID 13291224) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-methoxyprop-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-methoxyprop-1-ene
PubChem CID13291224
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-diethoxyphosphoryl-3-methoxyprop-1-ene
SMILESC=C(COC)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h3,5-7H2,1-2,4H3
InChIKeyIBHLHYXPHRCYJB-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphinic acid, bis(allyloxymethyl)-, ethyl ester
CID 88566
3-Dimethoxyphosphoryl-3-methoxyprop-1-ene
CID 10261694
3-Dimethoxyphosphoryl-3-methoxy-2-methylprop-1-ene
CID 10104075
(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene
CID 11447639
2-Diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene
CID 11791526
(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 12586022
3-[Bis(diethoxyphosphoryl)methoxy]prop-1-ene
CID 23631229
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 100931501
Diethyl 3-allyloxy-1-propynylphosphonate
CID 129852818
3-Ethoxy-2-diethoxyphosphoryloxyprop-1-ene
CID 138857502
3-Diethoxyphosphoryl-4-methoxybuta-1,2-diene
CID 12483409
3-Dipropoxyphosphoryl-4-methoxybuta-1,2-diene
CID 12483410

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-3-methoxyprop-1-ene?
The IUPAC name of 2-diethoxyphosphoryl-3-methoxyprop-1-ene (CID 13291224) is 2-diethoxyphosphoryl-3-methoxyprop-1-ene.
What is the SMILES notation for 2-diethoxyphosphoryl-3-methoxyprop-1-ene?
The canonical SMILES for 2-diethoxyphosphoryl-3-methoxyprop-1-ene is C=C(COC)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-3-methoxyprop-1-ene?
The InChIKey is IBHLHYXPHRCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h3,5-7H2,1-2,4H3.
What are the key properties of 2-diethoxyphosphoryl-3-methoxyprop-1-ene?
2-diethoxyphosphoryl-3-methoxyprop-1-ene has a molecular weight of 208.19 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-methoxyprop-1-ene is sourced from PubChem (CID 13291224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).