propan-2-yl 2-methylbutane-2-sulfinate

C8H18O2S — CID 134928147

IUPACpropan-2-yl 2-methylbutane-2-sulfinate
SMILESCCC(C)(C)S(=O)OC(C)C
InChIInChI=1S/C8H18O2S/c1-6-8(4,5)11(9)10-7(2)3/h7H,6H2,1-5H3
InChIKeyPVKNTEVNKVZCQO-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.26
Rot. Bonds4

About propan-2-yl 2-methylbutane-2-sulfinate

propan-2-yl 2-methylbutane-2-sulfinate (PubChem CID 134928147) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is propan-2-yl 2-methylbutane-2-sulfinate.

Molecular Properties

Compound Namepropan-2-yl 2-methylbutane-2-sulfinate
PubChem CID134928147
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Namepropan-2-yl 2-methylbutane-2-sulfinate
SMILESCCC(C)(C)S(=O)OC(C)C
InChIInChI=1S/C8H18O2S/c1-6-8(4,5)11(9)10-7(2)3/h7H,6H2,1-5H3
InChIKeyPVKNTEVNKVZCQO-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl 2-methylpropane-2-sulfinate
CID 13539056
propyl (R)-2-methylpropane-2-sulfinate
CID 13539057
Propan-2-yl 2-methylpropane-2-sulfinate
CID 13539059
Butyl 2-methylpropane-2-sulfinate
CID 13539062
butyl (R)-2-methylpropane-2-sulfinate
CID 13539063
Butyl 2-methylbutane-2-sulfinate
CID 134928148
Propyl 2-methylbutane-2-sulfinate
CID 134994326
Ethyl 2-methylbutane-2-sulfinate
CID 134995379
Ethyl 2-methylbutane-2-sulfonate
CID 22436750
Propan-2-yl 2-methylbutane-2-sulfonate
CID 22436775
Butan-2-yl 2-methylbutane-2-sulfonate
CID 22436804
Propan-2-yl 2-methylpropane-2-sulfonate
CID 22436821

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylbutane-2-sulfinate?
The IUPAC name of propan-2-yl 2-methylbutane-2-sulfinate (CID 134928147) is propan-2-yl 2-methylbutane-2-sulfinate.
What is the SMILES notation for propan-2-yl 2-methylbutane-2-sulfinate?
The canonical SMILES for propan-2-yl 2-methylbutane-2-sulfinate is CCC(C)(C)S(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methylbutane-2-sulfinate?
The InChIKey is PVKNTEVNKVZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-6-8(4,5)11(9)10-7(2)3/h7H,6H2,1-5H3.
What are the key properties of propan-2-yl 2-methylbutane-2-sulfinate?
propan-2-yl 2-methylbutane-2-sulfinate has a molecular weight of 178.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylbutane-2-sulfinate is sourced from PubChem (CID 134928147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).