butan-2-yl-diethynyl-methylsilane

C9H14Si — CID 54554607

IUPACbutan-2-yl-diethynyl-methylsilane
SMILESC#C[Si](C)(C#C)C(C)CC
InChIInChI=1S/C9H14Si/c1-6-9(4)10(5,7-2)8-3/h2-3,9H,6H2,1,4-5H3
InChIKeyZMHIGPMJFAVCKV-UHFFFAOYSA-N
MW150.30 g/mol
LogP2.21
Rot. Bonds2

About butan-2-yl-diethynyl-methylsilane

butan-2-yl-diethynyl-methylsilane (PubChem CID 54554607) has the molecular formula C9H14Si and a molecular weight of 150.30 g/mol. Its IUPAC name is butan-2-yl-diethynyl-methylsilane.

Molecular Properties

Compound Namebutan-2-yl-diethynyl-methylsilane
PubChem CID54554607
Molecular FormulaC9H14Si
Molecular Weight150.30 g/mol
Exact Mass150.09
IUPAC Namebutan-2-yl-diethynyl-methylsilane
SMILESC#C[Si](C)(C#C)C(C)CC
InChIInChI=1S/C9H14Si/c1-6-9(4)10(5,7-2)8-3/h2-3,9H,6H2,1,4-5H3
InChIKeyZMHIGPMJFAVCKV-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.30
LogP ≤ 52.21
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 butan-2-yl-diethynyl-methylsilane?
The IUPAC name of butan-2-yl-diethynyl-methylsilane (CID 54554607) is butan-2-yl-diethynyl-methylsilane.
What is the SMILES notation for butan-2-yl-diethynyl-methylsilane?
The canonical SMILES for butan-2-yl-diethynyl-methylsilane is C#C[Si](C)(C#C)C(C)CC.
What is the InChIKey of butan-2-yl-diethynyl-methylsilane?
The InChIKey is ZMHIGPMJFAVCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Si/c1-6-9(4)10(5,7-2)8-3/h2-3,9H,6H2,1,4-5H3.
What are the key properties of butan-2-yl-diethynyl-methylsilane?
butan-2-yl-diethynyl-methylsilane has a molecular weight of 150.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-diethynyl-methylsilane is sourced from PubChem (CID 54554607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).