(E)-3-diethoxyphosphorylhex-3-ene

C10H21O3P — CID 15646571

IUPAC(E)-3-diethoxyphosphorylhex-3-ene
SMILESCC/C=C(\CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyZXFWOQOYZABZRD-MDZDMXLPSA-N
MW220.25 g/mol
LogP3.96
Rot. Bonds7

About (E)-3-diethoxyphosphorylhex-3-ene

(E)-3-diethoxyphosphorylhex-3-ene (PubChem CID 15646571) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (E)-3-diethoxyphosphorylhex-3-ene.

Molecular Properties

Compound Name(E)-3-diethoxyphosphorylhex-3-ene
PubChem CID15646571
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(E)-3-diethoxyphosphorylhex-3-ene
SMILESCC/C=C(\CC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyZXFWOQOYZABZRD-MDZDMXLPSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-diethoxyphosphorylhex-3-ene?
The IUPAC name of (E)-3-diethoxyphosphorylhex-3-ene (CID 15646571) is (E)-3-diethoxyphosphorylhex-3-ene.
What is the SMILES notation for (E)-3-diethoxyphosphorylhex-3-ene?
The canonical SMILES for (E)-3-diethoxyphosphorylhex-3-ene is CC/C=C(\CC)P(=O)(OCC)OCC.
What is the InChIKey of (E)-3-diethoxyphosphorylhex-3-ene?
The InChIKey is ZXFWOQOYZABZRD-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-9-10(6-2)14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-3-diethoxyphosphorylhex-3-ene?
(E)-3-diethoxyphosphorylhex-3-ene has a molecular weight of 220.25 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-diethoxyphosphorylhex-3-ene is sourced from PubChem (CID 15646571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).