2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate

C10H18O4S — CID 54093777

IUPAC2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OSOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O4S/c1-9(2,3)7(11)13-15-14-8(12)10(4,5)6/h1-6H3
InChIKeyMVRFGCFFIKMIGO-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.73
Rot. Bonds2

About 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate

2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate (PubChem CID 54093777) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
PubChem CID54093777
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OSOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O4S/c1-9(2,3)7(11)13-15-14-8(12)10(4,5)6/h1-6H3
InChIKeyMVRFGCFFIKMIGO-UHFFFAOYSA-N
XLogP2.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pivalic anhydride
CID 15234
Zinc pivalate
CID 19435776
palladium(II) pivalate
CID 24905427
Boron pivalate
CID 5326257
Pivaloyl fluo-borate
CID 129807621
Mg(II) pivalate
CID 14977427
Thallium triisobutyrate
CID 16694345
Dimethyl-sulfoniumpropionate
CID 20197164
Tert-butylperoxy pivalate
CID 21958209
Trimethylessigsaures Baryum
CID 129648923
Strontium pivalate
CID 129760849
Calcium pivalate
CID 129760863

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate?
The IUPAC name of 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate (CID 54093777) is 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate?
The canonical SMILES for 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OSOC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate?
The InChIKey is MVRFGCFFIKMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-9(2,3)7(11)13-15-14-8(12)10(4,5)6/h1-6H3.
What are the key properties of 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate?
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate has a molecular weight of 234.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate is sourced from PubChem (CID 54093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).