3-diethoxyphosphorylcyclopentene

C9H17O3P — CID 11435641

IUPAC3-diethoxyphosphorylcyclopentene
SMILESCCOP(=O)(OCC)C1C=CCC1
InChIInChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyXOXBGPKVFUGRAW-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.97
Rot. Bonds5

About 3-diethoxyphosphorylcyclopentene

3-diethoxyphosphorylcyclopentene (PubChem CID 11435641) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 3-diethoxyphosphorylcyclopentene.

Molecular Properties

Compound Name3-diethoxyphosphorylcyclopentene
PubChem CID11435641
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name3-diethoxyphosphorylcyclopentene
SMILESCCOP(=O)(OCC)C1C=CCC1
InChIInChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyXOXBGPKVFUGRAW-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylcyclopentene?
The IUPAC name of 3-diethoxyphosphorylcyclopentene (CID 11435641) is 3-diethoxyphosphorylcyclopentene.
What is the SMILES notation for 3-diethoxyphosphorylcyclopentene?
The canonical SMILES for 3-diethoxyphosphorylcyclopentene is CCOP(=O)(OCC)C1C=CCC1.
What is the InChIKey of 3-diethoxyphosphorylcyclopentene?
The InChIKey is XOXBGPKVFUGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylcyclopentene?
3-diethoxyphosphorylcyclopentene has a molecular weight of 204.21 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylcyclopentene is sourced from PubChem (CID 11435641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).