1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide

C9H16O4S2 — CID 118914060

IUPAC1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
SMILESO=S1(=O)CCCCCCC12CCS2(=O)=O
InChIInChI=1S/C9H16O4S2/c10-14(11)7-4-2-1-3-5-9(14)6-8-15(9,12)13/h1-8H2
InChIKeyVKOLEQHASQRGFN-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds

About 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide

1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide (PubChem CID 118914060) has the molecular formula C9H16O4S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide.

Molecular Properties

Compound Name1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
PubChem CID118914060
Molecular FormulaC9H16O4S2
Molecular Weight252.36 g/mol
Exact Mass252.05
IUPAC Name1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
SMILESO=S1(=O)CCCCCCC12CCS2(=O)=O
InChIInChI=1S/C9H16O4S2/c10-14(11)7-4-2-1-3-5-9(14)6-8-15(9,12)13/h1-8H2
InChIKeyVKOLEQHASQRGFN-UHFFFAOYSA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide
CID 15184645
8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
CID 118609043
6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 90369892
2-amino-1,1-dioxothiolan-2-ol
CID 160841811
2,2-dimethyl-1,1-dioxo-1λ6-thia-5-azacyclohexadecan-4-one
CID 141118188
2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
CID 115018801
ethane;thiepane 1,1-dioxide
CID 91582088
ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
CID 162069522
1,1-dioxo-2-propan-2-ylthiane-2-carboxylic acid
CID 84787507
4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
CID 169147628
CID 174946982
CID 174946982
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994

Frequently Asked Questions

What is the IUPAC name of 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide?
The IUPAC name of 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide (CID 118914060) is 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide.
What is the SMILES notation for 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide?
The canonical SMILES for 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide is O=S1(=O)CCCCCCC12CCS2(=O)=O.
What is the InChIKey of 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide?
The InChIKey is VKOLEQHASQRGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S2/c10-14(11)7-4-2-1-3-5-9(14)6-8-15(9,12)13/h1-8H2.
What are the key properties of 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide?
1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide has a molecular weight of 252.36 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide is sourced from PubChem (CID 118914060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).