2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate

C11H16O7S2-2 — CID 175224190

IUPAC2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate
SMILESO=C(C1(S(=O)[O-])CCCCO1)C1(S(=O)[O-])CCCCO1
InChIInChI=1S/C11H18O7S2/c12-9(10(19(13)14)5-1-3-7-17-10)11(20(15)16)6-2-4-8-18-11/h1-8H2,(H,13,14)(H,15,16)/p-2
InChIKeySWGBAVXLCCWFSJ-UHFFFAOYSA-L
MW324.38 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate

2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate (PubChem CID 175224190) has the molecular formula C11H16O7S2-2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate.

Molecular Properties

Compound Name2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate
PubChem CID175224190
Molecular FormulaC11H16O7S2-2
Molecular Weight324.38 g/mol
Exact Mass324.03
IUPAC Name2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate
SMILESO=C(C1(S(=O)[O-])CCCCO1)C1(S(=O)[O-])CCCCO1
InChIInChI=1S/C11H18O7S2/c12-9(10(19(13)14)5-1-3-7-17-10)11(20(15)16)6-2-4-8-18-11/h1-8H2,(H,13,14)(H,15,16)/p-2
InChIKeySWGBAVXLCCWFSJ-UHFFFAOYSA-L
XLogP0.11
TPSA115.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-silyloxane-2-sulfinate
CID 123267264
2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
2-formyloxane-2-carboxylic acid
CID 141434966
5-oxaspiro[3.5]nonan-2-one
CID 171035049
oxolane;propan-2-one
CID 22559816
carbonic acid;oxane
CID 70293219
oxolane;palladium(2+);diacetate
CID 173243487
ethane;2-methyloxane-2-carboxamide
CID 171543445
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
1-carbamoylcyclobutane-1-sulfinate
CID 175151573
2-chlorooxane-2-sulfonyl chloride
CID 174974036
bis[dimethyl-(2-methylsilyloxan-2-yl)silyl]methanone
CID 175245714

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate?
The IUPAC name of 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate (CID 175224190) is 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate.
What is the SMILES notation for 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate?
The canonical SMILES for 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate is O=C(C1(S(=O)[O-])CCCCO1)C1(S(=O)[O-])CCCCO1.
What is the InChIKey of 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate?
The InChIKey is SWGBAVXLCCWFSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H18O7S2/c12-9(10(19(13)14)5-1-3-7-17-10)11(20(15)16)6-2-4-8-18-11/h1-8H2,(H,13,14)(H,15,16)/p-2.
What are the key properties of 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate?
2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate has a molecular weight of 324.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate is sourced from PubChem (CID 175224190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).