(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane

C11H21ISi2 — CID 76569434

IUPAC(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane
SMILESCC(C#C[Si](C)(C)C)=C(I)[Si](C)(C)C
InChIInChI=1S/C11H21ISi2/c1-10(8-9-13(2,3)4)11(12)14(5,6)7/h1-7H3
InChIKeyJZMHCFQMPNLTEQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.45
Rot. Bonds1

About (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane

(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane (PubChem CID 76569434) has the molecular formula C11H21ISi2 and a molecular weight of 336.37 g/mol. Its IUPAC name is (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane
PubChem CID76569434
Molecular FormulaC11H21ISi2
Molecular Weight336.37 g/mol
Exact Mass336.02
IUPAC Name(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane
SMILESCC(C#C[Si](C)(C)C)=C(I)[Si](C)(C)C
InChIInChI=1S/C11H21ISi2/c1-10(8-9-13(2,3)4)11(12)14(5,6)7/h1-7H3
InChIKeyJZMHCFQMPNLTEQ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.45
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
[(Z)-1-iodo-2-(2-trimethylsilylethynyl)pent-1-enyl]-trimethylsilane
CID 11772912
tert-butyl-[(Z)-4-iodo-3-methylbut-3-en-1-ynyl]-dimethylsilane
CID 102483616
trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
CID 13484507
Trimethyl-(3-methylidene-5-trimethylsilylpenta-1,4-diynyl)silane
CID 19381117
[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane
CID 57572894
[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
CID 57572895
[(E)-3,4-dimethyl-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 57572896
Trimethyl-(3-methyl-4-trimethylsilylpent-3-en-1-ynyl)silane
CID 73183336
(4-Iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane
CID 76569433
(3,4-Dimethyl-6-trimethylsilylhex-3-en-1,5-diynyl)-trimethylsilane
CID 76569435
[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
CID 159694576

Frequently Asked Questions

What is the IUPAC name of (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane?
The IUPAC name of (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane (CID 76569434) is (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane.
What is the SMILES notation for (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane?
The canonical SMILES for (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane is CC(C#C[Si](C)(C)C)=C(I)[Si](C)(C)C.
What is the InChIKey of (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane?
The InChIKey is JZMHCFQMPNLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ISi2/c1-10(8-9-13(2,3)4)11(12)14(5,6)7/h1-7H3.
What are the key properties of (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane?
(1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane has a molecular weight of 336.37 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane is sourced from PubChem (CID 76569434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).