tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane

C16H32OSi — CID 134859193

IUPACtert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
SMILESCC1=CC[C@@H](C(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h9,12,14-15H,10-11H2,1-8H3/t14-,15-/m1/s1
InChIKeyHRISIBLWKZMCPO-HUUCEWRRSA-N
MW268.52 g/mol
LogP5.39
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane (PubChem CID 134859193) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
PubChem CID134859193
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
SMILESCC1=CC[C@@H](C(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h9,12,14-15H,10-11H2,1-8H3/t14-,15-/m1/s1
InChIKeyHRISIBLWKZMCPO-HUUCEWRRSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.39
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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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
1-[(1S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]pent-4-en-1-one
CID 177042650
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786
tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane
CID 102052246
(1R,3S,5S,6S,7R,9Z,11S,13R,16S,17S)-5-[tert-butyl(dimethyl)silyl]oxy-6,10,13-trimethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-9-en-2-one
CID 11091948
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
CID 162973961
1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-2-one
CID 21260239
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane (CID 134859193) is tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane is CC1=CC[C@@H](C(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane?
The InChIKey is HRISIBLWKZMCPO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h9,12,14-15H,10-11H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.39, 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,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 134859193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).