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

C8H11O3PS — CID 53240246

IUPAC8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene
SMILESC=CC1CC2C=CCOP(=S)(O1)O2
InChIInChI=1S/C8H11O3PS/c1-2-7-6-8-4-3-5-9-12(13,10-7)11-8/h2-4,7-8H,1,5-6H2
InChIKeyIYCCLIYYPGAZSR-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.16
Rot. Bonds1

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

8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene (PubChem CID 53240246) has the molecular formula C8H11O3PS and a molecular weight of 218.21 g/mol. Its IUPAC name is 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene.

Molecular Properties

Compound Name8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene
PubChem CID53240246
Molecular FormulaC8H11O3PS
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Name8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene
SMILESC=CC1CC2C=CCOP(=S)(O1)O2
InChIInChI=1S/C8H11O3PS/c1-2-7-6-8-4-3-5-9-12(13,10-7)11-8/h2-4,7-8H,1,5-6H2
InChIKeyIYCCLIYYPGAZSR-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.16
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-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene?
The IUPAC name of 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene (CID 53240246) is 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene.
What is the SMILES notation for 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene?
The canonical SMILES for 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene is C=CC1CC2C=CCOP(=S)(O1)O2.
What is the InChIKey of 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene?
The InChIKey is IYCCLIYYPGAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3PS/c1-2-7-6-8-4-3-5-9-12(13,10-7)11-8/h2-4,7-8H,1,5-6H2.
What are the key properties of 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene?
8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene has a molecular weight of 218.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-1-sulfanylidene-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene is sourced from PubChem (CID 53240246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).