butyl 2-methylbutane-2-sulfinate

C9H20O2S — CID 134928148

IUPACbutyl 2-methylbutane-2-sulfinate
SMILESCCCCOS(=O)C(C)(C)CC
InChIInChI=1S/C9H20O2S/c1-5-7-8-11-12(10)9(3,4)6-2/h5-8H2,1-4H3
InChIKeyOVYVZXXQNREWJD-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.66
Rot. Bonds6

About butyl 2-methylbutane-2-sulfinate

butyl 2-methylbutane-2-sulfinate (PubChem CID 134928148) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is butyl 2-methylbutane-2-sulfinate.

Molecular Properties

Compound Namebutyl 2-methylbutane-2-sulfinate
PubChem CID134928148
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Namebutyl 2-methylbutane-2-sulfinate
SMILESCCCCOS(=O)C(C)(C)CC
InChIInChI=1S/C9H20O2S/c1-5-7-8-11-12(10)9(3,4)6-2/h5-8H2,1-4H3
InChIKeyOVYVZXXQNREWJD-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-methyl-2-propanesulfinate
CID 13539053
ethyl (R)-2-methylpropane-2-sulfinate
CID 13539054
Butyl butane-1-sulfinate
CID 14747175
Isoamylsultone
CID 22597177
3,3-Dimethyloxathiolane 2-oxide
CID 86220729
Propyl 2-methylpropane-2-sulfinate
CID 13539056
propyl (R)-2-methylpropane-2-sulfinate
CID 13539057
Butyl 2-methylpropane-2-sulfinate
CID 13539062
butyl (R)-2-methylpropane-2-sulfinate
CID 13539063
(r)-t-Butyl t-butanethiolsulfinate
CID 129654800
Propan-2-yl 2-methylbutane-2-sulfinate
CID 134928147
Propyl 2-methylbutane-2-sulfinate
CID 134994326

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylbutane-2-sulfinate?
The IUPAC name of butyl 2-methylbutane-2-sulfinate (CID 134928148) is butyl 2-methylbutane-2-sulfinate.
What is the SMILES notation for butyl 2-methylbutane-2-sulfinate?
The canonical SMILES for butyl 2-methylbutane-2-sulfinate is CCCCOS(=O)C(C)(C)CC.
What is the InChIKey of butyl 2-methylbutane-2-sulfinate?
The InChIKey is OVYVZXXQNREWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-5-7-8-11-12(10)9(3,4)6-2/h5-8H2,1-4H3.
What are the key properties of butyl 2-methylbutane-2-sulfinate?
butyl 2-methylbutane-2-sulfinate has a molecular weight of 192.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylbutane-2-sulfinate is sourced from PubChem (CID 134928148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).