tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane

C16H32OSi — CID 100987046

IUPACtert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane
SMILESCC1=CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13-9-11-14(12-10-13)16(5,6)17-18(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-/m0/s1
InChIKeySNBSTIQLJYAMHA-AWEZNQCLSA-N
MW268.52 g/mol
LogP5.53
Rot. Bonds3

About tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane

tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane (PubChem CID 100987046) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane
PubChem CID100987046
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane
SMILESCC1=CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13-9-11-14(12-10-13)16(5,6)17-18(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-/m0/s1
InChIKeySNBSTIQLJYAMHA-AWEZNQCLSA-N
XLogP5.53
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 ≤ 55.53
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

trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
Trimethyl((2-(4-methylcyclohex-3-en-1-yl)propan-2-yl)oxy)silane
CID 582864
alpha-Bisabolol, TMS derivative
CID 14486055
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
CID 99772921

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane (CID 100987046) is tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane is CC1=CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane?
The InChIKey is SNBSTIQLJYAMHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13-9-11-14(12-10-13)16(5,6)17-18(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane?
tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane has a molecular weight of 268.52 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane is sourced from PubChem (CID 100987046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).