(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene

C8H17O4P — CID 12586022

IUPAC(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
SMILESCCOP(=O)(OCC)/C(C)=C/OC
InChIInChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h7H,5-6H2,1-4H3/b8-7+
InChIKeyKKJNXSXYXLHTCD-BQYQJAHWSA-N
MW208.19 g/mol
LogP2.76
Rot. Bonds6

About (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene

(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene (PubChem CID 12586022) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
PubChem CID12586022
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
SMILESCCOP(=O)(OCC)/C(C)=C/OC
InChIInChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h7H,5-6H2,1-4H3/b8-7+
InChIKeyKKJNXSXYXLHTCD-BQYQJAHWSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Diethoxyphosphoryl-ethenoxy)-ethane
CID 2784304
(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene
CID 11447639
(Z)-1-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 13172413
(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
CID 13172414
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 100931501
(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene
CID 122205508
Diisopropyl-(3-ethoxy-2-methyl-2-propenyl)phosphonate
CID 129819627
Diethyl 2-methyl-1-propenyl phosphate
CID 129878546
[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate
CID 131857303
1-[Butoxy(1-ethoxyethenyl)phosphoryl]oxybutane
CID 305825
(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene
CID 10956028
Dipropyl prop-1-en-2-ylphosphonate
CID 15103915

Frequently Asked Questions

What is the IUPAC name of (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The IUPAC name of (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene (CID 12586022) is (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The canonical SMILES for (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene is CCOP(=O)(OCC)/C(C)=C/OC.
What is the InChIKey of (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
The InChIKey is KKJNXSXYXLHTCD-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17O4P/c1-5-11-13(9,12-6-2)8(3)7-10-4/h7H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene?
(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene has a molecular weight of 208.19 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene is sourced from PubChem (CID 12586022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).