buta-1,3-diynyl-dimethyl-trimethylsilylsilane

C9H16Si2 — CID 10397409

IUPACbuta-1,3-diynyl-dimethyl-trimethylsilylsilane
SMILESC#CC#C[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C9H16Si2/c1-7-8-9-11(5,6)10(2,3)4/h1H,2-6H3
InChIKeyWMPSXFZPQBXOQK-UHFFFAOYSA-N
MW180.40 g/mol
LogP2.29
Rot. Bonds1

About buta-1,3-diynyl-dimethyl-trimethylsilylsilane

buta-1,3-diynyl-dimethyl-trimethylsilylsilane (PubChem CID 10397409) has the molecular formula C9H16Si2 and a molecular weight of 180.40 g/mol. Its IUPAC name is buta-1,3-diynyl-dimethyl-trimethylsilylsilane.

Molecular Properties

Compound Namebuta-1,3-diynyl-dimethyl-trimethylsilylsilane
PubChem CID10397409
Molecular FormulaC9H16Si2
Molecular Weight180.40 g/mol
Exact Mass180.08
IUPAC Namebuta-1,3-diynyl-dimethyl-trimethylsilylsilane
SMILESC#CC#C[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C9H16Si2/c1-7-8-9-11(5,6)10(2,3)4/h1H,2-6H3
InChIKeyWMPSXFZPQBXOQK-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.40
LogP ≤ 52.29
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 buta-1,3-diynyl-dimethyl-trimethylsilylsilane?
The IUPAC name of buta-1,3-diynyl-dimethyl-trimethylsilylsilane (CID 10397409) is buta-1,3-diynyl-dimethyl-trimethylsilylsilane.
What is the SMILES notation for buta-1,3-diynyl-dimethyl-trimethylsilylsilane?
The canonical SMILES for buta-1,3-diynyl-dimethyl-trimethylsilylsilane is C#CC#C[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of buta-1,3-diynyl-dimethyl-trimethylsilylsilane?
The InChIKey is WMPSXFZPQBXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Si2/c1-7-8-9-11(5,6)10(2,3)4/h1H,2-6H3.
What are the key properties of buta-1,3-diynyl-dimethyl-trimethylsilylsilane?
buta-1,3-diynyl-dimethyl-trimethylsilylsilane has a molecular weight of 180.40 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynyl-dimethyl-trimethylsilylsilane is sourced from PubChem (CID 10397409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).