3-methylbut-1-ynyl-tri(propan-2-yl)silane

C14H28Si — CID 86054183

IUPAC3-methylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28Si/c1-11(2)9-10-15(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeySILKQYACMJIVPY-UHFFFAOYSA-N
MW224.46 g/mol
LogP4.86
Rot. Bonds3

About 3-methylbut-1-ynyl-tri(propan-2-yl)silane

3-methylbut-1-ynyl-tri(propan-2-yl)silane (PubChem CID 86054183) has the molecular formula C14H28Si and a molecular weight of 224.46 g/mol. Its IUPAC name is 3-methylbut-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-methylbut-1-ynyl-tri(propan-2-yl)silane
PubChem CID86054183
Molecular FormulaC14H28Si
Molecular Weight224.46 g/mol
Exact Mass224.20
IUPAC Name3-methylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28Si/c1-11(2)9-10-15(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeySILKQYACMJIVPY-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.46
LogP ≤ 54.86
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-methylbut-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-methylbut-1-ynyl-tri(propan-2-yl)silane (CID 86054183) is 3-methylbut-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-methylbut-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-methylbut-1-ynyl-tri(propan-2-yl)silane is CC(C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methylbut-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is SILKQYACMJIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Si/c1-11(2)9-10-15(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3.
What are the key properties of 3-methylbut-1-ynyl-tri(propan-2-yl)silane?
3-methylbut-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 224.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86054183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).