tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane

C17H34OSi — CID 102588862

IUPACtert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane
SMILESCC1=CCC[C@@H](C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-14-10-9-11-15(2)17(14,6)12-13-18-19(7,8)16(3,4)5/h10,15H,9,11-13H2,1-8H3/t15-,17-/m1/s1
InChIKeyLDXUXYMLTKLVTO-NVXWUHKLSA-N
MW282.54 g/mol
LogP5.78
Rot. Bonds4

About tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane (PubChem CID 102588862) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane
PubChem CID102588862
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane
SMILESCC1=CCC[C@@H](C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-14-10-9-11-15(2)17(14,6)12-13-18-19(7,8)16(3,4)5/h10,15H,9,11-13H2,1-8H3/t15-,17-/m1/s1
InChIKeyLDXUXYMLTKLVTO-NVXWUHKLSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.78
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-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
(-)-Myrtenol, TBDMS derivative
CID 91697335
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
CID 11452085
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane (CID 102588862) is tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane is CC1=CCC[C@@H](C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane?
The InChIKey is LDXUXYMLTKLVTO-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H34OSi/c1-14-10-9-11-15(2)17(14,6)12-13-18-19(7,8)16(3,4)5/h10,15H,9,11-13H2,1-8H3/t15-,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane has a molecular weight of 282.54 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethoxy]silane is sourced from PubChem (CID 102588862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).