tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane

C15H28OSi — CID 102323747

IUPACtert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane
SMILESCC(C)[C@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@H]1C2
InChIInChI=1S/C15H28OSi/c1-11(2)15-9-12(15)8-13(10-15)16-17(6,7)14(3,4)5/h8,11-12H,9-10H2,1-7H3/t12-,15-/m0/s1
InChIKeyWKPQYUQIATVXHQ-WFASDCNBSA-N
MW252.47 g/mol
LogP4.96
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane

tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane (PubChem CID 102323747) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane
PubChem CID102323747
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane
SMILESCC(C)[C@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@H]1C2
InChIInChI=1S/C15H28OSi/c1-11(2)15-9-12(15)8-13(10-15)16-17(6,7)14(3,4)5/h8,11-12H,9-10H2,1-7H3/t12-,15-/m0/s1
InChIKeyWKPQYUQIATVXHQ-WFASDCNBSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.96
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

4-Tert-butyl-1-trimethylsilyloxy-1-cyclohexene
CID 10911276
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
Trimethyl-(5-methylcyclohexen-1-yl)oxysilane
CID 12608286
4-Methyl-1-(trimethylsilyloxy)-1-cyclohexene
CID 15564294
tert-butyl-[[(1R,5R)-3-fluoro-1-bicyclo[3.1.0]hex-3-enyl]methoxy]-dimethylsilane
CID 173772543
1-Cyclohexene, 4,4-dimethyl-1-[(trimethylsilyl)oxy]-
CID 581527
[(4R)-4-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 10633031
Silane, (1,1-dimethylethyl)dimethyl[(6-methyl-1-cyclohexen-1-yl)oxy]-
CID 10900345
Silane, [[(4S)-4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]oxy]trimethyl-
CID 11042447
tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
CID 11390785
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
trimethyl-[(4S)-4-methylcyclohexen-1-yl]oxysilane
CID 15564295

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane (CID 102323747) is tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane is CC(C)[C@]12CC(O[Si](C)(C)C(C)(C)C)=C[C@H]1C2.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane?
The InChIKey is WKPQYUQIATVXHQ-WFASDCNBSA-N. The full InChI is InChI=1S/C15H28OSi/c1-11(2)15-9-12(15)8-13(10-15)16-17(6,7)14(3,4)5/h8,11-12H,9-10H2,1-7H3/t12-,15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane has a molecular weight of 252.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane is sourced from PubChem (CID 102323747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).