tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane

C18H34OSi — CID 10957377

IUPACtert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane
SMILESCC1=C2CCC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](CC1)C2
InChIInChI=1S/C18H34OSi/c1-14-10-11-16-13-15(14)9-8-12-18(16,5)19-20(6,7)17(2,3)4/h16H,8-13H2,1-7H3/t16-,18+/m1/s1
InChIKeyIZZZGBYXOKJENL-AEFFLSMTSA-N
MW294.56 g/mol
LogP6.07
Rot. Bonds2

About tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane (PubChem CID 10957377) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane
PubChem CID10957377
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane
SMILESCC1=C2CCC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](CC1)C2
InChIInChI=1S/C18H34OSi/c1-14-10-11-16-13-15(14)9-8-12-18(16,5)19-20(6,7)17(2,3)4/h16H,8-13H2,1-7H3/t16-,18+/m1/s1
InChIKeyIZZZGBYXOKJENL-AEFFLSMTSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane (CID 10957377) is tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane is CC1=C2CCC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](CC1)C2.
What is the InChIKey of tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane?
The InChIKey is IZZZGBYXOKJENL-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14-10-11-16-13-15(14)9-8-12-18(16,5)19-20(6,7)17(2,3)4/h16H,8-13H2,1-7H3/t16-,18+/m1/s1.
What are the key properties of tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 10957377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).