(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene

C10H21O5P — CID 10956028

IUPAC(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene
SMILESCCO/C=C(\COC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O5P/c1-5-13-9-10(8-12-4)16(11,14-6-2)15-7-3/h9H,5-8H2,1-4H3/b10-9+
InChIKeyTVWVNHLQHIIWGK-MDZDMXLPSA-N
MW252.25 g/mol
LogP2.78
Rot. Bonds9

About (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene

(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene (PubChem CID 10956028) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene
PubChem CID10956028
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene
SMILESCCO/C=C(\COC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O5P/c1-5-13-9-10(8-12-4)16(11,14-6-2)15-7-3/h9H,5-8H2,1-4H3/b10-9+
InChIKeyTVWVNHLQHIIWGK-MDZDMXLPSA-N
XLogP2.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene?
The IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene (CID 10956028) is (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene?
The canonical SMILES for (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene is CCO/C=C(\COC)P(=O)(OCC)OCC.
What is the InChIKey of (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene?
The InChIKey is TVWVNHLQHIIWGK-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21O5P/c1-5-13-9-10(8-12-4)16(11,14-6-2)15-7-3/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene?
(E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene has a molecular weight of 252.25 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-1-ethoxy-3-methoxyprop-1-ene is sourced from PubChem (CID 10956028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).