O-trimethylsilyl 2,2-dimethylpropanethioate

C8H18OSSi — CID 13171693

IUPACO-trimethylsilyl 2,2-dimethylpropanethioate
SMILESCC(C)(C)C(=S)O[Si](C)(C)C
InChIInChI=1S/C8H18OSSi/c1-8(2,3)7(10)9-11(4,5)6/h1-6H3
InChIKeyIUGOFJIVWOEXIT-UHFFFAOYSA-N
MW190.38 g/mol
LogP3.21
Rot. Bonds1

About O-trimethylsilyl 2,2-dimethylpropanethioate

O-trimethylsilyl 2,2-dimethylpropanethioate (PubChem CID 13171693) has the molecular formula C8H18OSSi and a molecular weight of 190.38 g/mol. Its IUPAC name is O-trimethylsilyl 2,2-dimethylpropanethioate.

Molecular Properties

Compound NameO-trimethylsilyl 2,2-dimethylpropanethioate
PubChem CID13171693
Molecular FormulaC8H18OSSi
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC NameO-trimethylsilyl 2,2-dimethylpropanethioate
SMILESCC(C)(C)C(=S)O[Si](C)(C)C
InChIInChI=1S/C8H18OSSi/c1-8(2,3)7(10)9-11(4,5)6/h1-6H3
InChIKeyIUGOFJIVWOEXIT-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(2,4,4-trimethylpent-2-en-3-yloxy)silane
CID 12506586
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]prop-1-enoxy]silane
CID 10878232
O-trimethylsilyl 2-trimethylsilylethanethioate
CID 54378640
O-(tert-butylamino) 2,2-dimethylpropanethioate
CID 11275507
O-(iodomethyl) 2,2-dimethylpropanethioate
CID 139604943
trimethyl-[(2E,6E)-4,4,5,5-tetramethyl-7-trimethylsilyloxyocta-2,6-dien-2-yl]oxysilane
CID 11371297
trimethylsilyl 2-oxopropanoate
CID 554459
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
trimethylsilyl 2-amino-3,3-dimethylbutanoate
CID 90102815
methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate
CID 18541895
tert-butyl-dimethyl-[(Z)-2-trimethylsilyloxyprop-1-enoxy]silane
CID 90756977
potassium 2,2-dimethylpropanoyl-bis(trimethylsilyl)silanide
CID 134998153

Frequently Asked Questions

What is the IUPAC name of O-trimethylsilyl 2,2-dimethylpropanethioate?
The IUPAC name of O-trimethylsilyl 2,2-dimethylpropanethioate (CID 13171693) is O-trimethylsilyl 2,2-dimethylpropanethioate.
What is the SMILES notation for O-trimethylsilyl 2,2-dimethylpropanethioate?
The canonical SMILES for O-trimethylsilyl 2,2-dimethylpropanethioate is CC(C)(C)C(=S)O[Si](C)(C)C.
What is the InChIKey of O-trimethylsilyl 2,2-dimethylpropanethioate?
The InChIKey is IUGOFJIVWOEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSSi/c1-8(2,3)7(10)9-11(4,5)6/h1-6H3.
What are the key properties of O-trimethylsilyl 2,2-dimethylpropanethioate?
O-trimethylsilyl 2,2-dimethylpropanethioate has a molecular weight of 190.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-trimethylsilyl 2,2-dimethylpropanethioate is sourced from PubChem (CID 13171693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).