tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane

C15H30OSi — CID 138974292

IUPACtert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
SMILESCC1=CCCC(CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30OSi/c1-13-8-7-9-14(12-13)10-11-16-17(5,6)15(2,3)4/h8,14H,7,9-12H2,1-6H3
InChIKeyXSTLNHFHTYINCY-UHFFFAOYSA-N
MW254.49 g/mol
LogP5.14
Rot. Bonds4

About tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane (PubChem CID 138974292) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
PubChem CID138974292
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
SMILESCC1=CCCC(CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30OSi/c1-13-8-7-9-14(12-13)10-11-16-17(5,6)15(2,3)4/h8,14H,7,9-12H2,1-6H3
InChIKeyXSTLNHFHTYINCY-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.14
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

Silicic acid, 3,7-dimethyl-6-octen-1-yl ethyl ester
CID 138395830
Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
Trimethyl-(5-methylcyclohexen-1-yl)oxysilane
CID 12608286
4-Methyl-1-(trimethylsilyloxy)-1-cyclohexene
CID 15564294
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
Trimethyl((2-(4-methylcyclohex-3-en-1-yl)propan-2-yl)oxy)silane
CID 582864
beta-Citronellol, TBDMS derivative
CID 11043851
2,6-Dimethyl-5-hepten-1-yl trimethylsilyl ether
CID 11287356
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane (CID 138974292) is tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane is CC1=CCCC(CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane?
The InChIKey is XSTLNHFHTYINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-13-8-7-9-14(12-13)10-11-16-17(5,6)15(2,3)4/h8,14H,7,9-12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane has a molecular weight of 254.49 g/mol, XLogP of 5.14, 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-(3-methylcyclohex-3-en-1-yl)ethoxy]silane is sourced from PubChem (CID 138974292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).