[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol

C11H24OSSi — CID 171781505

IUPAC[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
SMILESCC(C)(C)[Si](C)(C)OC1CC(CS)C1
InChIInChI=1S/C11H24OSSi/c1-11(2,3)14(4,5)12-10-6-9(7-10)8-13/h9-10,13H,6-8H2,1-5H3
InChIKeyCPNUGUIQOUSDRG-UHFFFAOYSA-N
MW232.46 g/mol
LogP3.72
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol

[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol (PubChem CID 171781505) has the molecular formula C11H24OSSi and a molecular weight of 232.46 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
PubChem CID171781505
Molecular FormulaC11H24OSSi
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
SMILESCC(C)(C)[Si](C)(C)OC1CC(CS)C1
InChIInChI=1S/C11H24OSSi/c1-11(2,3)14(4,5)12-10-6-9(7-10)8-13/h9-10,13H,6-8H2,1-5H3
InChIKeyCPNUGUIQOUSDRG-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
CID 67078431
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786
1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
CID 59619318
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane
CID 125029134

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol (CID 171781505) is [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol is CC(C)(C)[Si](C)(C)OC1CC(CS)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol?
The InChIKey is CPNUGUIQOUSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSSi/c1-11(2,3)14(4,5)12-10-6-9(7-10)8-13/h9-10,13H,6-8H2,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol?
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol has a molecular weight of 232.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol is sourced from PubChem (CID 171781505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).