tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane

C15H29ISi — CID 123595457

IUPACtert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane
SMILESCC1=C(I)C(C)(C)CC([Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29ISi/c1-11-9-12(10-15(5,6)13(11)16)17(7,8)14(2,3)4/h12H,9-10H2,1-8H3
InChIKeyVZVWIXMHQAJANJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP6.39
Rot. Bonds1

About tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane

tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane (PubChem CID 123595457) has the molecular formula C15H29ISi and a molecular weight of 364.39 g/mol. Its IUPAC name is tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane
PubChem CID123595457
Molecular FormulaC15H29ISi
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Nametert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane
SMILESCC1=C(I)C(C)(C)CC([Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29ISi/c1-11-9-12(10-15(5,6)13(11)16)17(7,8)14(2,3)4/h12H,9-10H2,1-8H3
InChIKeyVZVWIXMHQAJANJ-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione
CID 87591098
tert-butyl-[4-[tert-butyl(dimethyl)silyl]cyclohexyl]-dimethylsilane
CID 101272528
tert-butyl-cyclopentyl-dimethylsilane
CID 58570155
4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione
CID 141298220
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one
CID 130028968
4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
CID 21296243
(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934217
tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane
CID 135020516
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
tert-butyl-dimethyl-pyrrolidin-3-ylsilane
CID 23288427
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane (CID 123595457) is tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane is CC1=C(I)C(C)(C)CC([Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane?
The InChIKey is VZVWIXMHQAJANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ISi/c1-11-9-12(10-15(5,6)13(11)16)17(7,8)14(2,3)4/h12H,9-10H2,1-8H3.
What are the key properties of tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane?
tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane has a molecular weight of 364.39 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-iodo-3,5,5-trimethylcyclohex-3-en-1-yl)-dimethylsilane is sourced from PubChem (CID 123595457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).