2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide

C9H17O5PS — CID 170686944

IUPAC2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
SMILESC=CCSP1(=O)OCCOCCOCCO1
InChIInChI=1S/C9H17O5PS/c1-2-9-16-15(10)13-7-5-11-3-4-12-6-8-14-15/h2H,1,3-9H2
InChIKeyREQFDCKJLRMMEA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.09
Rot. Bonds3

About 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide

2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide (PubChem CID 170686944) has the molecular formula C9H17O5PS and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
PubChem CID170686944
Molecular FormulaC9H17O5PS
Molecular Weight268.27 g/mol
Exact Mass268.05
IUPAC Name2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
SMILESC=CCSP1(=O)OCCOCCOCCO1
InChIInChI=1S/C9H17O5PS/c1-2-9-16-15(10)13-7-5-11-3-4-12-6-8-14-15/h2H,1,3-9H2
InChIKeyREQFDCKJLRMMEA-UHFFFAOYSA-N
XLogP2.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynylsulfanyl-1,3,6,9,12,15-hexaoxa-2λ5-phosphacycloheptadecane 2-oxide
CID 170686956
4-prop-2-enylsulfanylmorpholine
CID 134892146
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
CID 130201589
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane
CID 170686947
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
ethenylphosphonic acid;oxirane
CID 174918550
1,4-dioxane
CID 161483686
oxolane;prop-2-en-1-ol
CID 67851867
4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide
CID 12037889
oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene
CID 174429158

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide?
The IUPAC name of 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide (CID 170686944) is 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide.
What is the SMILES notation for 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide?
The canonical SMILES for 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide is C=CCSP1(=O)OCCOCCOCCO1.
What is the InChIKey of 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide?
The InChIKey is REQFDCKJLRMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O5PS/c1-2-9-16-15(10)13-7-5-11-3-4-12-6-8-14-15/h2H,1,3-9H2.
What are the key properties of 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide?
2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide has a molecular weight of 268.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide is sourced from PubChem (CID 170686944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).