8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide

C8H11O4P — CID 53240247

IUPAC8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESC=CC1CC2C=CCOP(=O)(O1)O2
InChIInChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2
InChIKeyHEFHKSYPUAMSGC-UHFFFAOYSA-N
MW202.15 g/mol
LogP2.04
Rot. Bonds1

About 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide

8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (PubChem CID 53240247) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.

Molecular Properties

Compound Name8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
PubChem CID53240247
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESC=CC1CC2C=CCOP(=O)(O1)O2
InChIInChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2
InChIKeyHEFHKSYPUAMSGC-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The IUPAC name of 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (CID 53240247) is 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.
What is the SMILES notation for 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The canonical SMILES for 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is C=CC1CC2C=CCOP(=O)(O1)O2.
What is the InChIKey of 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The InChIKey is HEFHKSYPUAMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2.
What are the key properties of 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide has a molecular weight of 202.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is sourced from PubChem (CID 53240247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).