but-1-yne;propan-2-ylsilane

C7H16Si — CID 174573214

IUPACbut-1-yne;propan-2-ylsilane
SMILESC#CCC.CC(C)[SiH3]
InChIInChI=1S/C4H6.C3H10Si/c1-3-4-2;1-3(2)4/h1H,4H2,2H3;3H,1-2,4H3
InChIKeyMGBQXDYQAALCSD-UHFFFAOYSA-N
MW128.29 g/mol
LogP1.21
Rot. Bonds

About but-1-yne;propan-2-ylsilane

but-1-yne;propan-2-ylsilane (PubChem CID 174573214) has the molecular formula C7H16Si and a molecular weight of 128.29 g/mol. Its IUPAC name is but-1-yne;propan-2-ylsilane.

Molecular Properties

Compound Namebut-1-yne;propan-2-ylsilane
PubChem CID174573214
Molecular FormulaC7H16Si
Molecular Weight128.29 g/mol
Exact Mass128.10
IUPAC Namebut-1-yne;propan-2-ylsilane
SMILESC#CCC.CC(C)[SiH3]
InChIInChI=1S/C4H6.C3H10Si/c1-3-4-2;1-3(2)4/h1H,4H2,2H3;3H,1-2,4H3
InChIKeyMGBQXDYQAALCSD-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.29
LogP ≤ 51.21
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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Related Compounds

but-1-yne;hydrochloride
CID 172711742
but-1-yne;ruthenium;hydrochloride
CID 160987878
butane;but-1-yne;propane
CID 155749259
but-1-yne;bis(but-2-yne);methane
CID 159335852
but-1-yne;hexane
CID 18785170
bicyclo[2.2.0]hexa-1,3,5-triene;but-1-yne
CID 174273836
but-1-yne;thiophene
CID 157338578
1-tritiobut-1-yne
CID 59073177
but-1-yne;oxolane
CID 175164461
N-ethyl-5-methylhept-1-yn-4-amine
CID 63717234
3-ethyl-4-methylpent-1-yne
CID 15093812
CID 59576282
CID 59576282

Frequently Asked Questions

What is the IUPAC name of but-1-yne;propan-2-ylsilane?
The IUPAC name of but-1-yne;propan-2-ylsilane (CID 174573214) is but-1-yne;propan-2-ylsilane.
What is the SMILES notation for but-1-yne;propan-2-ylsilane?
The canonical SMILES for but-1-yne;propan-2-ylsilane is C#CCC.CC(C)[SiH3].
What is the InChIKey of but-1-yne;propan-2-ylsilane?
The InChIKey is MGBQXDYQAALCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H10Si/c1-3-4-2;1-3(2)4/h1H,4H2,2H3;3H,1-2,4H3.
What are the key properties of but-1-yne;propan-2-ylsilane?
but-1-yne;propan-2-ylsilane has a molecular weight of 128.29 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;propan-2-ylsilane is sourced from PubChem (CID 174573214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).