tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane

C13H26Br2Si — CID 15187666

IUPACtert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane
SMILESCCCCC(C=C(Br)Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26Br2Si/c1-7-8-9-11(10-12(14)15)16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyHXIFXFOVBFKMDN-UHFFFAOYSA-N
MW370.25 g/mol
LogP6.69
Rot. Bonds5

About tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane

tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane (PubChem CID 15187666) has the molecular formula C13H26Br2Si and a molecular weight of 370.25 g/mol. Its IUPAC name is tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane
PubChem CID15187666
Molecular FormulaC13H26Br2Si
Molecular Weight370.25 g/mol
Exact Mass368.02
IUPAC Nametert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane
SMILESCCCCC(C=C(Br)Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26Br2Si/c1-7-8-9-11(10-12(14)15)16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyHXIFXFOVBFKMDN-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane (CID 15187666) is tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane is CCCCC(C=C(Br)Br)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane?
The InChIKey is HXIFXFOVBFKMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Br2Si/c1-7-8-9-11(10-12(14)15)16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane?
tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane has a molecular weight of 370.25 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1-dibromohept-1-en-3-yl)-dimethylsilane is sourced from PubChem (CID 15187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).