[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane

C18H36Br2Si2 — CID 101369878

IUPAC[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\Br)[Si](C)(C)C)=C(/Br)[Si](C)(C)C
InChIInChI=1S/C18H36Br2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+
InChIKeyHUTMALHYOLIYDN-YTEMWHBBSA-N
MW468.47 g/mol
LogP8.42
Rot. Bonds9

About [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane

[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane (PubChem CID 101369878) has the molecular formula C18H36Br2Si2 and a molecular weight of 468.47 g/mol. Its IUPAC name is [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane
PubChem CID101369878
Molecular FormulaC18H36Br2Si2
Molecular Weight468.47 g/mol
Exact Mass466.07
IUPAC Name[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\Br)[Si](C)(C)C)=C(/Br)[Si](C)(C)C
InChIInChI=1S/C18H36Br2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+
InChIKeyHUTMALHYOLIYDN-YTEMWHBBSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 58.42
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

[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249951
[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 24800636
[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-hexylnon-1-enyl]-trimethylsilane
CID 101459425
[3,12-Bis(dibromomethylidene)-14-trimethylsilyltetradeca-1,13-diynyl]-trimethylsilane
CID 101840278
[3,13-Bis(dibromomethylidene)-15-trimethylsilylpentadeca-1,14-diynyl]-trimethylsilane
CID 101840279
[3,14-Bis(dibromomethylidene)-16-trimethylsilylhexadeca-1,15-diynyl]-trimethylsilane
CID 101840280
[3,15-Bis(dibromomethylidene)-17-trimethylsilylheptadeca-1,16-diynyl]-trimethylsilane
CID 101840281
[3,16-Bis(dibromomethylidene)-18-trimethylsilyloctadeca-1,17-diynyl]-trimethylsilane
CID 101840282

Frequently Asked Questions

What is the IUPAC name of [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane?
The IUPAC name of [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane (CID 101369878) is [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane is CCCCC(/C(CCCC)=C(\Br)[Si](C)(C)C)=C(/Br)[Si](C)(C)C.
What is the InChIKey of [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane?
The InChIKey is HUTMALHYOLIYDN-YTEMWHBBSA-N. The full InChI is InChI=1S/C18H36Br2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+.
What are the key properties of [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane?
[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane has a molecular weight of 468.47 g/mol, XLogP of 8.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane is sourced from PubChem (CID 101369878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).