oxo(2,2,3,3-tetramethylbutyl)sulfanium

C8H17OS+ — CID 174471753

IUPACoxo(2,2,3,3-tetramethylbutyl)sulfanium
SMILESCC(C)(C)C(C)(C)C[S+]=O
InChIInChI=1S/C8H17OS/c1-7(2,3)8(4,5)6-10-9/h6H2,1-5H3/q+1
InChIKeyWICLBPZSCAIFIN-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.49
Rot. Bonds2

About oxo(2,2,3,3-tetramethylbutyl)sulfanium

oxo(2,2,3,3-tetramethylbutyl)sulfanium (PubChem CID 174471753) has the molecular formula C8H17OS+ and a molecular weight of 161.29 g/mol. Its IUPAC name is oxo(2,2,3,3-tetramethylbutyl)sulfanium.

Molecular Properties

Compound Nameoxo(2,2,3,3-tetramethylbutyl)sulfanium
PubChem CID174471753
Molecular FormulaC8H17OS+
Molecular Weight161.29 g/mol
Exact Mass161.10
IUPAC Nameoxo(2,2,3,3-tetramethylbutyl)sulfanium
SMILESCC(C)(C)C(C)(C)C[S+]=O
InChIInChI=1S/C8H17OS/c1-7(2,3)8(4,5)6-10-9/h6H2,1-5H3/q+1
InChIKeyWICLBPZSCAIFIN-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
CID 141460643
N-ethyl-3,3,4,4-tetramethylpentan-1-amine
CID 81022340
2,2,3,3,4,4-hexamethylpentan-1-ol
CID 59119754
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
2,2,3,3,5-pentamethyl-5-propan-2-ylsulfanylhexane
CID 126627041
(1-amino-2-methylpropan-2-yl)-oxosulfanium
CID 174552619
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
2,5,5,6,6-pentamethylhept-1-en-3-one
CID 130257344
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
CID 115135569
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
methyl-sulfanylidene-(2,2,3,3-tetramethylbutyl)-λ4-sulfane
CID 134528992

Frequently Asked Questions

What is the IUPAC name of oxo(2,2,3,3-tetramethylbutyl)sulfanium?
The IUPAC name of oxo(2,2,3,3-tetramethylbutyl)sulfanium (CID 174471753) is oxo(2,2,3,3-tetramethylbutyl)sulfanium.
What is the SMILES notation for oxo(2,2,3,3-tetramethylbutyl)sulfanium?
The canonical SMILES for oxo(2,2,3,3-tetramethylbutyl)sulfanium is CC(C)(C)C(C)(C)C[S+]=O.
What is the InChIKey of oxo(2,2,3,3-tetramethylbutyl)sulfanium?
The InChIKey is WICLBPZSCAIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OS/c1-7(2,3)8(4,5)6-10-9/h6H2,1-5H3/q+1.
What are the key properties of oxo(2,2,3,3-tetramethylbutyl)sulfanium?
oxo(2,2,3,3-tetramethylbutyl)sulfanium has a molecular weight of 161.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(2,2,3,3-tetramethylbutyl)sulfanium is sourced from PubChem (CID 174471753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).