2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane

C8H15O5PS — CID 170686947

IUPAC2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane
SMILESC=COP1(=S)OCCOCCOCCO1
InChIInChI=1S/C8H15O5PS/c1-2-11-14(15)12-7-5-9-3-4-10-6-8-13-14/h2H,1,3-8H2
InChIKeyKZOSITYEWICLEC-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.45
Rot. Bonds2

About 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane

2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane (PubChem CID 170686947) has the molecular formula C8H15O5PS and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane.

Molecular Properties

Compound Name2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane
PubChem CID170686947
Molecular FormulaC8H15O5PS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane
SMILESC=COP1(=S)OCCOCCOCCO1
InChIInChI=1S/C8H15O5PS/c1-2-11-14(15)12-7-5-9-3-4-10-6-8-13-14/h2H,1,3-8H2
InChIKeyKZOSITYEWICLEC-UHFFFAOYSA-N
XLogP1.45
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 11593484
neon;oxirane
CID 175793141
1,4-dioxane
CID 161483686
2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
CID 170686944
CID 135046592
CID 135046592
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
CID 87315894
1,4-dioxane;silver
CID 157261770
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide
CID 12037889
potassium;1,4-dioxane;hydroxide
CID 70357034

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane?
The IUPAC name of 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane (CID 170686947) is 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane.
What is the SMILES notation for 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane?
The canonical SMILES for 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane is C=COP1(=S)OCCOCCOCCO1.
What is the InChIKey of 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane?
The InChIKey is KZOSITYEWICLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5PS/c1-2-11-14(15)12-7-5-9-3-4-10-6-8-13-14/h2H,1,3-8H2.
What are the key properties of 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane?
2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane has a molecular weight of 254.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane is sourced from PubChem (CID 170686947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).