3-(dibromomethylidene)hept-1-ynyl-trimethylsilane

C11H18Br2Si — CID 102280492

IUPAC3-(dibromomethylidene)hept-1-ynyl-trimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C)=C(Br)Br
InChIInChI=1S/C11H18Br2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3
InChIKeyOBVRVQYAJPBWQA-UHFFFAOYSA-N
MW338.16 g/mol
LogP5.06
Rot. Bonds3

About 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane

3-(dibromomethylidene)hept-1-ynyl-trimethylsilane (PubChem CID 102280492) has the molecular formula C11H18Br2Si and a molecular weight of 338.16 g/mol. Its IUPAC name is 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(dibromomethylidene)hept-1-ynyl-trimethylsilane
PubChem CID102280492
Molecular FormulaC11H18Br2Si
Molecular Weight338.16 g/mol
Exact Mass335.95
IUPAC Name3-(dibromomethylidene)hept-1-ynyl-trimethylsilane
SMILESCCCCC(C#C[Si](C)(C)C)=C(Br)Br
InChIInChI=1S/C11H18Br2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3
InChIKeyOBVRVQYAJPBWQA-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.16
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane?
The IUPAC name of 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane (CID 102280492) is 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane is CCCCC(C#C[Si](C)(C)C)=C(Br)Br.
What is the InChIKey of 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane?
The InChIKey is OBVRVQYAJPBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2Si/c1-5-6-7-10(11(12)13)8-9-14(2,3)4/h5-7H2,1-4H3.
What are the key properties of 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane?
3-(dibromomethylidene)hept-1-ynyl-trimethylsilane has a molecular weight of 338.16 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibromomethylidene)hept-1-ynyl-trimethylsilane is sourced from PubChem (CID 102280492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).