3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane

C11H18Si — CID 173041923

IUPAC3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane
SMILESC=C(C)C#C[SiH](C(=C)C)C(C)C
InChIInChI=1S/C11H18Si/c1-9(2)7-8-12(10(3)4)11(5)6/h11-12H,1,3H2,2,4-6H3
InChIKeyCVTXWZVQPUMIKD-UHFFFAOYSA-N
MW178.35 g/mol
LogP2.86
Rot. Bonds2

About 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane

3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane (PubChem CID 173041923) has the molecular formula C11H18Si and a molecular weight of 178.35 g/mol. Its IUPAC name is 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane.

Molecular Properties

Compound Name3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane
PubChem CID173041923
Molecular FormulaC11H18Si
Molecular Weight178.35 g/mol
Exact Mass178.12
IUPAC Name3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane
SMILESC=C(C)C#C[SiH](C(=C)C)C(C)C
InChIInChI=1S/C11H18Si/c1-9(2)7-8-12(10(3)4)11(5)6/h11-12H,1,3H2,2,4-6H3
InChIKeyCVTXWZVQPUMIKD-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 52.86
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-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane?
The IUPAC name of 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane (CID 173041923) is 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane.
What is the SMILES notation for 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane?
The canonical SMILES for 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane is C=C(C)C#C[SiH](C(=C)C)C(C)C.
What is the InChIKey of 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane?
The InChIKey is CVTXWZVQPUMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Si/c1-9(2)7-8-12(10(3)4)11(5)6/h11-12H,1,3H2,2,4-6H3.
What are the key properties of 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane?
3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane has a molecular weight of 178.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-en-1-ynyl-propan-2-yl-prop-1-en-2-ylsilane is sourced from PubChem (CID 173041923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).