1-diethoxyphosphoryl-3-methylcyclopentene

C10H19O3P — CID 57361472

IUPAC1-diethoxyphosphoryl-3-methylcyclopentene
SMILESCCOP(=O)(OCC)C1=CC(C)CC1
InChIInChI=1S/C10H19O3P/c1-4-12-14(11,13-5-2)10-7-6-9(3)8-10/h8-9H,4-7H2,1-3H3
InChIKeyWSMDRORDMMBDMQ-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.57
Rot. Bonds5

About 1-diethoxyphosphoryl-3-methylcyclopentene

1-diethoxyphosphoryl-3-methylcyclopentene (PubChem CID 57361472) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3-methylcyclopentene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3-methylcyclopentene
PubChem CID57361472
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphoryl-3-methylcyclopentene
SMILESCCOP(=O)(OCC)C1=CC(C)CC1
InChIInChI=1S/C10H19O3P/c1-4-12-14(11,13-5-2)10-7-6-9(3)8-10/h8-9H,4-7H2,1-3H3
InChIKeyWSMDRORDMMBDMQ-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.57
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-diethoxyphosphoryl-3-methylcyclopentene?
The IUPAC name of 1-diethoxyphosphoryl-3-methylcyclopentene (CID 57361472) is 1-diethoxyphosphoryl-3-methylcyclopentene.
What is the SMILES notation for 1-diethoxyphosphoryl-3-methylcyclopentene?
The canonical SMILES for 1-diethoxyphosphoryl-3-methylcyclopentene is CCOP(=O)(OCC)C1=CC(C)CC1.
What is the InChIKey of 1-diethoxyphosphoryl-3-methylcyclopentene?
The InChIKey is WSMDRORDMMBDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-4-12-14(11,13-5-2)10-7-6-9(3)8-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-3-methylcyclopentene?
1-diethoxyphosphoryl-3-methylcyclopentene has a molecular weight of 218.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3-methylcyclopentene is sourced from PubChem (CID 57361472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).