[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane

C13H27ISi — CID 134981367

IUPAC[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane
SMILESCCC/C=C(\CCC)CC(I)[Si](C)(C)C
InChIInChI=1S/C13H27ISi/c1-6-8-10-12(9-7-2)11-13(14)15(3,4)5/h10,13H,6-9,11H2,1-5H3/b12-10+
InChIKeyFSFQTYQLDZAITH-ZRDIBKRKSA-N
MW338.35 g/mol
LogP5.58
Rot. Bonds7

About [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane

[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane (PubChem CID 134981367) has the molecular formula C13H27ISi and a molecular weight of 338.35 g/mol. Its IUPAC name is [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane
PubChem CID134981367
Molecular FormulaC13H27ISi
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane
SMILESCCC/C=C(\CCC)CC(I)[Si](C)(C)C
InChIInChI=1S/C13H27ISi/c1-6-8-10-12(9-7-2)11-13(14)15(3,4)5/h10,13H,6-9,11H2,1-5H3/b12-10+
InChIKeyFSFQTYQLDZAITH-ZRDIBKRKSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1-cyclohexen-1-ylmethyl)trimethyl-
CID 10964921
Silane, (2-cyclohexylideneethyl)trimethyl-
CID 10976133
((2E)-3,7-Dimethyl-2,6-octadien-1-yl)trimethylsilane
CID 10954825
2-Cyclohexylideneethyl(triethyl)silane
CID 102587173
(2,4-Dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
CID 134857856
2-(Cyclopenten-1-yl)ethyl-trimethylsilane
CID 139263552
Cyclopentene, 1-trimethylsilyl-2-methyl-4-methylene-
CID 552257
Silane, (1-cyclopenten-1-ylmethyl)trimethyl-
CID 553182
[(Z)-6-iodohex-2-enyl]-trimethylsilane
CID 10869732
trimethyl-[(E)-undec-5-en-5-yl]silane
CID 11107073
(5-Iodo-2-methylidenepentyl)-trimethylsilane
CID 11140555
[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
CID 11255656

Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane (CID 134981367) is [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane is CCC/C=C(\CCC)CC(I)[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane?
The InChIKey is FSFQTYQLDZAITH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H27ISi/c1-6-8-10-12(9-7-2)11-13(14)15(3,4)5/h10,13H,6-9,11H2,1-5H3/b12-10+.
What are the key properties of [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane?
[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane has a molecular weight of 338.35 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane is sourced from PubChem (CID 134981367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).