[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane

C18H37BrSi2 — CID 139249951

IUPAC[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
SMILESCCCCC(=C(/Br)[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C18H37BrSi2/c1-9-11-13-16(15-20(3,4)5)17(14-12-10-2)18(19)21(6,7)8/h15H,9-14H2,1-8H3/b16-15+,18-17+
InChIKeyFGLFXMLDZTVRAK-GKIXDJALSA-N
MW389.57 g/mol
LogP7.70
Rot. Bonds9

About [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane

[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane (PubChem CID 139249951) has the molecular formula C18H37BrSi2 and a molecular weight of 389.57 g/mol. Its IUPAC name is [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
PubChem CID139249951
Molecular FormulaC18H37BrSi2
Molecular Weight389.57 g/mol
Exact Mass388.16
IUPAC Name[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
SMILESCCCCC(=C(/Br)[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C18H37BrSi2/c1-9-11-13-16(15-20(3,4)5)17(14-12-10-2)18(19)21(6,7)8/h15H,9-14H2,1-8H3/b16-15+,18-17+
InChIKeyFGLFXMLDZTVRAK-GKIXDJALSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.57
LogP ≤ 57.70
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

[(E,3Z)-3-(bromomethylidene)-2-butylhept-1-enyl]-trimethylsilane
CID 11674112
3,4-Dihexyl-1,1-dimethylsilole
CID 14960758
Bis(trimethylsilylmethylidene)cyclooctane
CID 15244875
Trimethyl(2-methylidenedodecyl)silane
CID 16046669
[(E,3E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 101369879
Triethyl(3-methylidenenonyl)silane
CID 101564537
Bis(trimethylsilyldeuteromethylidene)cyclooctane
CID 129815063
1,1-Dimethyl-3,4-dioctylsilole
CID 135062817
[(E,3Z)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249952
lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249989
[(Z,3Z)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 139252467
trimethyl-[(E)-2-[(E)-2-trimethylsilylethenyl]oct-1-enyl]silane
CID 164676772

Frequently Asked Questions

What is the IUPAC name of [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The IUPAC name of [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane (CID 139249951) is [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane is CCCCC(=C(/Br)[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC.
What is the InChIKey of [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The InChIKey is FGLFXMLDZTVRAK-GKIXDJALSA-N. The full InChI is InChI=1S/C18H37BrSi2/c1-9-11-13-16(15-20(3,4)5)17(14-12-10-2)18(19)21(6,7)8/h15H,9-14H2,1-8H3/b16-15+,18-17+.
What are the key properties of [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane has a molecular weight of 389.57 g/mol, XLogP of 7.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane is sourced from PubChem (CID 139249951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).