(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene

C10H21O4P — CID 13172414

IUPAC(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
SMILESCC/C=C(\OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-9-10(12-6-2)15(11,13-7-3)14-8-4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyDJUKBDLFFAKFHK-MDZDMXLPSA-N
MW236.25 g/mol
LogP3.54
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene

(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene (PubChem CID 13172414) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
PubChem CID13172414
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene
SMILESCC/C=C(\OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-9-10(12-6-2)15(11,13-7-3)14-8-4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyDJUKBDLFFAKFHK-MDZDMXLPSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene (CID 13172414) is (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene is CC/C=C(\OCC)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene?
The InChIKey is DJUKBDLFFAKFHK-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-9-10(12-6-2)15(11,13-7-3)14-8-4/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene?
(E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene has a molecular weight of 236.25 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-ethoxybut-1-ene is sourced from PubChem (CID 13172414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).