tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane

C16H32OSi — CID 11021914

IUPACtert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h13-15H,1,9-11H2,2-8H3/t13-,14-,15+/m1/s1
InChIKeyHNYGMXGILQEZMC-KFWWJZLASA-N
MW268.52 g/mol
LogP5.39
Rot. Bonds3

About tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane

tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane (PubChem CID 11021914) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
PubChem CID11021914
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h13-15H,1,9-11H2,2-8H3/t13-,14-,15+/m1/s1
InChIKeyHNYGMXGILQEZMC-KFWWJZLASA-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

Isopulegol, [1R-(1alpha,2beta,5alpha)]-, TMS derivative
CID 588570
(1R,2S,5R)-5-methyl-2-(3-trimethylsilylprop-1-en-2-yl)cyclohexan-1-ol
CID 10799291
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane
CID 135025444
trimethyl-[(1R,2S)-2-[(E)-4-trimethylsilylbut-3-en-2-yl]cyclohexyl]oxysilane
CID 135067883
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-propenyl)cyclohexyl)oxy)-, trans-
CID 182723
Silane, ((2-(3-butenyl)cyclohexyl)oxy)(1,1-dimethylethyl)dimethyl-, trans-
CID 182737
Trimethyl-(1-methyl-4-prop-1-en-2-yl-2-trimethylsilyloxycyclohexyl)oxysilane
CID 187033
Silane, (1,1-dimethylethyl)((2-(3-iodo-2-methyl-2-propenyl)cyclohexyl)oxy)dimethyl-, (1alpha,2beta(E))-
CID 6442717
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-butenyl)cyclohexyl)oxy)-, (1alpha,2beta(E))-
CID 6442720
(1R-(1alpha,(1R*,2S*,5R*),2beta,5alpha))-Methoxymethylbis((5-methyl-2-(1-methylvinyl)cyclohexyl)oxy)silane
CID 134822027

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane (CID 11021914) is tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane is C=C(C)[C@@H]1CC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane?
The InChIKey is HNYGMXGILQEZMC-KFWWJZLASA-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/h13-15H,1,9-11H2,2-8H3/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]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-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane is sourced from PubChem (CID 11021914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).