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

C16H32OSi — CID 584625

IUPACtert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane
SMILESCC1=CCC(C(C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13-8-10-15(11-9-13)14(2)12-17-18(6,7)16(3,4)5/h8,14-15H,9-12H2,1-7H3
InChIKeyWYTQTJKVYUPXJB-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.39
Rot. Bonds4

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

tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane (PubChem CID 584625) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane
PubChem CID584625
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane
SMILESCC1=CCC(C(C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13-8-10-15(11-9-13)14(2)12-17-18(6,7)16(3,4)5/h8,14-15H,9-12H2,1-7H3
InChIKeyWYTQTJKVYUPXJB-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
Triethoxy[2-(4-methylcyclohex-3-en-1-yl)propyl]silane
CID 13650253
beta-Citronellol, TBDMS derivative
CID 11043851
alpha-Bisabolol, TMS derivative
CID 14486055
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
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
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane (CID 584625) is tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane is CC1=CCC(C(C)CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane?
The InChIKey is WYTQTJKVYUPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13-8-10-15(11-9-13)14(2)12-17-18(6,7)16(3,4)5/h8,14-15H,9-12H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane?
tert-butyl-dimethyl-[2-(4-methylcyclohex-3-en-1-yl)propoxy]silane has a molecular weight of 268.52 g/mol, XLogP of 5.39, 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-(4-methylcyclohex-3-en-1-yl)propoxy]silane is sourced from PubChem (CID 584625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).