tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane

C13H26OSi — CID 10846938

IUPACtert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
SMILES[2H][C@H]1[C@@H]2CCCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3/t11-,13-/m0/s1/i10D/t10-,11-,13-
InChIKeyRYRWFMUJGAIFHQ-OLNGHKTCSA-N
MW227.44 g/mol
LogP4.34
Rot. Bonds2

About tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane

tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane (PubChem CID 10846938) has the molecular formula C13H26OSi and a molecular weight of 227.44 g/mol. Its IUPAC name is tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
PubChem CID10846938
Molecular FormulaC13H26OSi
Molecular Weight227.44 g/mol
Exact Mass227.18
IUPAC Nametert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
SMILES[2H][C@H]1[C@@H]2CCCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3/t11-,13-/m0/s1/i10D/t10-,11-,13-
InChIKeyRYRWFMUJGAIFHQ-OLNGHKTCSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
CID 102386072
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 88548685
tert-butyl-dimethyl-[[(1R,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 86667431
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738
(1-methoxycyclohexyl)cyclononane
CID 70179360
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
CID 134918792
(2R)-2-[(1R,3aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-yl]-6-methylheptane-1,6-diol
CID 69232296
1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
CID 162408684
tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane (CID 10846938) is tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane is [2H][C@H]1[C@@H]2CCCC[C@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane?
The InChIKey is RYRWFMUJGAIFHQ-OLNGHKTCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2,3)15(4,5)14-13-9-7-6-8-11(13)10-13/h11H,6-10H2,1-5H3/t11-,13-/m0/s1/i10D/t10-,11-,13-.
What are the key properties of tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane?
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane has a molecular weight of 227.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane is sourced from PubChem (CID 10846938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).