[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane

C15H29BrSi — CID 11674112

IUPAC[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane
SMILESCCCCC(=C/Br)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C15H29BrSi/c1-6-8-10-14(12-16)15(11-9-7-2)13-17(3,4)5/h12-13H,6-11H2,1-5H3/b14-12-,15-13+
InChIKeyHCHFUGGDQOIMTG-PMJBJKLVSA-N
MW317.39 g/mol
LogP6.45
Rot. Bonds8

About [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane

[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane (PubChem CID 11674112) has the molecular formula C15H29BrSi and a molecular weight of 317.39 g/mol. Its IUPAC name is [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane
PubChem CID11674112
Molecular FormulaC15H29BrSi
Molecular Weight317.39 g/mol
Exact Mass316.12
IUPAC Name[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane
SMILESCCCCC(=C/Br)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C15H29BrSi/c1-6-8-10-14(12-16)15(11-9-7-2)13-17(3,4)5/h12-13H,6-11H2,1-5H3/b14-12-,15-13+
InChIKeyHCHFUGGDQOIMTG-PMJBJKLVSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-2-methyloct-1-enyl]silane
CID 10035643
[(E)-2-ethyloct-1-enyl]-trimethylsilane
CID 10081920
Trimethyl(3-methylidenenonyl)silane
CID 10584673
trimethyl-[(Z)-2-methyloct-1-enyl]silane
CID 12426804
[(Z)-2-ethyloct-1-enyl]-trimethylsilane
CID 12458688
[(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane
CID 13240643
Trimethyl(2-methylidenenonyl)silane
CID 13979642
2,3-Dimethylideneheptyl(triethyl)silane
CID 134858190
2,3-Dimethylideneheptyl(trimethyl)silane
CID 134858207
[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249951
trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane
CID 59990294
Trimethyl-[2-(2-methylprop-2-enyl)oct-1-enyl]silane
CID 73705640

Frequently Asked Questions

What is the IUPAC name of [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane (CID 11674112) is [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane is CCCCC(=C/Br)/C(=C/[Si](C)(C)C)CCCC.
What is the InChIKey of [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane?
The InChIKey is HCHFUGGDQOIMTG-PMJBJKLVSA-N. The full InChI is InChI=1S/C15H29BrSi/c1-6-8-10-14(12-16)15(11-9-7-2)13-17(3,4)5/h12-13H,6-11H2,1-5H3/b14-12-,15-13+.
What are the key properties of [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane?
[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane has a molecular weight of 317.39 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane is sourced from PubChem (CID 11674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).