2-methylbut-2-enoic acid;silane

C5H12O2Si — CID 173038853

IUPAC2-methylbut-2-enoic acid;silane
SMILESCC=C(C)C(=O)O.[SiH4]
InChIInChI=1S/C5H8O2.H4Si/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);1H4
InChIKeyNJCKRHVWLFLVKT-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.41
Rot. Bonds1

About 2-methylbut-2-enoic acid;silane

2-methylbut-2-enoic acid;silane (PubChem CID 173038853) has the molecular formula C5H12O2Si and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-methylbut-2-enoic acid;silane.

Molecular Properties

Compound Name2-methylbut-2-enoic acid;silane
PubChem CID173038853
Molecular FormulaC5H12O2Si
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-methylbut-2-enoic acid;silane
SMILESCC=C(C)C(=O)O.[SiH4]
InChIInChI=1S/C5H8O2.H4Si/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);1H4
InChIKeyNJCKRHVWLFLVKT-UHFFFAOYSA-N
XLogP-0.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-enoic acid;silane?
The IUPAC name of 2-methylbut-2-enoic acid;silane (CID 173038853) is 2-methylbut-2-enoic acid;silane.
What is the SMILES notation for 2-methylbut-2-enoic acid;silane?
The canonical SMILES for 2-methylbut-2-enoic acid;silane is CC=C(C)C(=O)O.[SiH4].
What is the InChIKey of 2-methylbut-2-enoic acid;silane?
The InChIKey is NJCKRHVWLFLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.H4Si/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);1H4.
What are the key properties of 2-methylbut-2-enoic acid;silane?
2-methylbut-2-enoic acid;silane has a molecular weight of 132.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-enoic acid;silane is sourced from PubChem (CID 173038853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).