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

C9H19O4P — CID 100931501

IUPAC(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCCO/C=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-11-8-9(4)14(10,12-6-2)13-7-3/h8H,5-7H2,1-4H3/b9-8+
InChIKeyBINQHUGMJZRKCK-CMDGGOBGSA-N
MW222.22 g/mol
LogP3.15
Rot. Bonds7

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

(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene (PubChem CID 100931501) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
PubChem CID100931501
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCCO/C=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-11-8-9(4)14(10,12-6-2)13-7-3/h8H,5-7H2,1-4H3/b9-8+
InChIKeyBINQHUGMJZRKCK-CMDGGOBGSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.15
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
(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 12586022
(Z)-1-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 13172413
(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
CID 13172414
(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-ethoxyprop-1-ene?
The IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene (CID 100931501) is (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The canonical SMILES for (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene is CCO/C=C(\C)P(=O)(OCC)OCC.
What is the InChIKey of (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The InChIKey is BINQHUGMJZRKCK-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19O4P/c1-5-11-8-9(4)14(10,12-6-2)13-7-3/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene?
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene has a molecular weight of 222.22 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene is sourced from PubChem (CID 100931501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).