tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane

C17H32OSi — CID 58529099

IUPACtert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane
SMILESC=C1[C@H](C)C/C(=C/CC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-9-10-15-11-13(2)14(3)16(12-15)18-19(7,8)17(4,5)6/h10,13,16H,3,9,11-12H2,1-2,4-8H3/b15-10-/t13-,16-/m1/s1
InChIKeyHPXQFBJFUSUPFQ-NYIQUGIWSA-N
MW280.53 g/mol
LogP5.70
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane (PubChem CID 58529099) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane
PubChem CID58529099
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane
SMILESC=C1[C@H](C)C/C(=C/CC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-9-10-15-11-13(2)14(3)16(12-15)18-19(7,8)17(4,5)6/h10,13,16H,3,9,11-12H2,1-2,4-8H3/b15-10-/t13-,16-/m1/s1
InChIKeyHPXQFBJFUSUPFQ-NYIQUGIWSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.70
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

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
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 134999883
trimethyl-[(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexyl]oxysilane
CID 135067882
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
CID 139250257
[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane
CID 139250260

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane (CID 58529099) is tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane is C=C1[C@H](C)C/C(=C/CC)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane?
The InChIKey is HPXQFBJFUSUPFQ-NYIQUGIWSA-N. The full InChI is InChI=1S/C17H32OSi/c1-9-10-15-11-13(2)14(3)16(12-15)18-19(7,8)17(4,5)6/h10,13,16H,3,9,11-12H2,1-2,4-8H3/b15-10-/t13-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.70, 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,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane is sourced from PubChem (CID 58529099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).