tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane

C17H34OSi — CID 162400600

IUPACtert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(CC[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-16(2,3)19(6,7)18-17(4,5)14-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3/t15-/m1/s1
InChIKeyPEICHMCWIISIOC-OAHLLOKOSA-N
MW282.54 g/mol
LogP5.92
Rot. Bonds5

About tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane

tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane (PubChem CID 162400600) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
PubChem CID162400600
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(CC[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-16(2,3)19(6,7)18-17(4,5)14-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3/t15-/m1/s1
InChIKeyPEICHMCWIISIOC-OAHLLOKOSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.92
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-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane (CID 162400600) is tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane is CC(C)(CC[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The InChIKey is PEICHMCWIISIOC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34OSi/c1-16(2,3)19(6,7)18-17(4,5)14-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3/t15-/m1/s1.
What are the key properties of tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane?
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 162400600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).