(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane

C14H24OSSi — CID 12664829

IUPAC(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane
SMILESCC(C)C(O[Si](C)(C)C)SCc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-12(2)14(15-17(3,4)5)16-11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeyZTCAJVFGGXIYLJ-UHFFFAOYSA-N
MW268.50 g/mol
LogP4.75
Rot. Bonds6

About (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane

(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane (PubChem CID 12664829) has the molecular formula C14H24OSSi and a molecular weight of 268.50 g/mol. Its IUPAC name is (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane
PubChem CID12664829
Molecular FormulaC14H24OSSi
Molecular Weight268.50 g/mol
Exact Mass268.13
IUPAC Name(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane
SMILESCC(C)C(O[Si](C)(C)C)SCc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-12(2)14(15-17(3,4)5)16-11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeyZTCAJVFGGXIYLJ-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
2-(Benzylthio)ethanol
CID 77486
S-benzyl ethanethioate
CID 10920881
O-n-Butyl-S-benzyl-xanthate
CID 22192
Benzene, [[(1,1-dimethylethyl)thio]methyl]-
CID 561152
Silane, trimethyl[(phenylmethyl)thio]-
CID 561584
[(Butylsulfanyl)methyl]benzene
CID 10397407
Benzyl-n-hexylsulfid
CID 10998253
S-benzyl 2-methylpropanethioate
CID 12561691
Benzyl sec-butyl sulfide
CID 12709210
[6-Benzylsulfanyl-6-(trifluoromethyl)-2,5-dihydrothiopyran-2-yl]oxy-trimethylsilane
CID 15312186
Tert-butyl-[2-(1-fluoro-2,2-diphenylethenyl)sulfanylethoxy]-dimethylsilane
CID 176422313

Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane?
The IUPAC name of (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane (CID 12664829) is (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane.
What is the SMILES notation for (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane?
The canonical SMILES for (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane is CC(C)C(O[Si](C)(C)C)SCc1ccccc1.
What is the InChIKey of (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane?
The InChIKey is ZTCAJVFGGXIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSSi/c1-12(2)14(15-17(3,4)5)16-11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3.
What are the key properties of (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane?
(1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane has a molecular weight of 268.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfanyl-2-methylpropoxy)-trimethylsilane is sourced from PubChem (CID 12664829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).