silyl 2,3-dimethylbut-2-enoate

C6H12O2Si — CID 123868460

IUPACsilyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)O[SiH3]
InChIInChI=1S/C6H12O2Si/c1-4(2)5(3)6(7)8-9/h1-3,9H3
InChIKeyJPKYUNWPDPSZLG-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.17
Rot. Bonds1

About silyl 2,3-dimethylbut-2-enoate

silyl 2,3-dimethylbut-2-enoate (PubChem CID 123868460) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is silyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Namesilyl 2,3-dimethylbut-2-enoate
PubChem CID123868460
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Namesilyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)O[SiH3]
InChIInChI=1S/C6H12O2Si/c1-4(2)5(3)6(7)8-9/h1-3,9H3
InChIKeyJPKYUNWPDPSZLG-UHFFFAOYSA-N
XLogP0.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 silyl 2,3-dimethylbut-2-enoate?
The IUPAC name of silyl 2,3-dimethylbut-2-enoate (CID 123868460) is silyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for silyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for silyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)O[SiH3].
What is the InChIKey of silyl 2,3-dimethylbut-2-enoate?
The InChIKey is JPKYUNWPDPSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-4(2)5(3)6(7)8-9/h1-3,9H3.
What are the key properties of silyl 2,3-dimethylbut-2-enoate?
silyl 2,3-dimethylbut-2-enoate has a molecular weight of 144.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 123868460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).