1-diethoxyphosphorylcyclopentene

C9H17O3P — CID 10774533

IUPAC1-diethoxyphosphorylcyclopentene
SMILESCCOP(=O)(OCC)C1=CCCC1
InChIInChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyPALUACDGXDYFOY-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.32
Rot. Bonds5

About 1-diethoxyphosphorylcyclopentene

1-diethoxyphosphorylcyclopentene (PubChem CID 10774533) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-diethoxyphosphorylcyclopentene.

Molecular Properties

Compound Name1-diethoxyphosphorylcyclopentene
PubChem CID10774533
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-diethoxyphosphorylcyclopentene
SMILESCCOP(=O)(OCC)C1=CCCC1
InChIInChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyPALUACDGXDYFOY-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.32
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 1-diethoxyphosphorylcyclopentene?
The IUPAC name of 1-diethoxyphosphorylcyclopentene (CID 10774533) is 1-diethoxyphosphorylcyclopentene.
What is the SMILES notation for 1-diethoxyphosphorylcyclopentene?
The canonical SMILES for 1-diethoxyphosphorylcyclopentene is CCOP(=O)(OCC)C1=CCCC1.
What is the InChIKey of 1-diethoxyphosphorylcyclopentene?
The InChIKey is PALUACDGXDYFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylcyclopentene?
1-diethoxyphosphorylcyclopentene has a molecular weight of 204.21 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylcyclopentene is sourced from PubChem (CID 10774533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).