(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane

C9H15ISi — CID 76569433

IUPAC(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane
SMILESCC(I)=C(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H15ISi/c1-8(9(2)10)6-7-11(3,4)5/h1-5H3
InChIKeyVMHGSNSCELGKEY-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.60
Rot. Bonds

About (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane

(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane (PubChem CID 76569433) has the molecular formula C9H15ISi and a molecular weight of 278.21 g/mol. Its IUPAC name is (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane
PubChem CID76569433
Molecular FormulaC9H15ISi
Molecular Weight278.21 g/mol
Exact Mass278.00
IUPAC Name(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane
SMILESCC(I)=C(C)C#C[Si](C)(C)C
InChIInChI=1S/C9H15ISi/c1-8(9(2)10)6-7-11(3,4)5/h1-5H3
InChIKeyVMHGSNSCELGKEY-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.60
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

tert-butyl-[(Z)-4-iodo-3-methylbut-3-en-1-ynyl]-dimethylsilane
CID 102483616
[(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
(1-Iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl)-trimethylsilane
CID 76569434
3,4-Dimethylpent-3-en-1-ynyl(methylidene)silane
CID 123246215
[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
CID 159694576
[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
CID 159958330

Frequently Asked Questions

What is the IUPAC name of (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane?
The IUPAC name of (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane (CID 76569433) is (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane.
What is the SMILES notation for (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane?
The canonical SMILES for (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane is CC(I)=C(C)C#C[Si](C)(C)C.
What is the InChIKey of (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane?
The InChIKey is VMHGSNSCELGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ISi/c1-8(9(2)10)6-7-11(3,4)5/h1-5H3.
What are the key properties of (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane?
(4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane has a molecular weight of 278.21 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-3-methylpent-3-en-1-ynyl)-trimethylsilane is sourced from PubChem (CID 76569433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).