1-diethoxyphosphoryl-2-ethoxycyclopentene

C11H21O4P — CID 10776923

IUPAC1-diethoxyphosphoryl-2-ethoxycyclopentene
SMILESCCOC1=C(P(=O)(OCC)OCC)CCC1
InChIInChI=1S/C11H21O4P/c1-4-13-10-8-7-9-11(10)16(12,14-5-2)15-6-3/h4-9H2,1-3H3
InChIKeyKNWIMFFXMNRDNG-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds7

About 1-diethoxyphosphoryl-2-ethoxycyclopentene

1-diethoxyphosphoryl-2-ethoxycyclopentene (PubChem CID 10776923) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-ethoxycyclopentene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-ethoxycyclopentene
PubChem CID10776923
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name1-diethoxyphosphoryl-2-ethoxycyclopentene
SMILESCCOC1=C(P(=O)(OCC)OCC)CCC1
InChIInChI=1S/C11H21O4P/c1-4-13-10-8-7-9-11(10)16(12,14-5-2)15-6-3/h4-9H2,1-3H3
InChIKeyKNWIMFFXMNRDNG-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-ethoxycyclopentene?
The IUPAC name of 1-diethoxyphosphoryl-2-ethoxycyclopentene (CID 10776923) is 1-diethoxyphosphoryl-2-ethoxycyclopentene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-ethoxycyclopentene?
The canonical SMILES for 1-diethoxyphosphoryl-2-ethoxycyclopentene is CCOC1=C(P(=O)(OCC)OCC)CCC1.
What is the InChIKey of 1-diethoxyphosphoryl-2-ethoxycyclopentene?
The InChIKey is KNWIMFFXMNRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-4-13-10-8-7-9-11(10)16(12,14-5-2)15-6-3/h4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-ethoxycyclopentene?
1-diethoxyphosphoryl-2-ethoxycyclopentene has a molecular weight of 248.26 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-ethoxycyclopentene is sourced from PubChem (CID 10776923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).