2-silylethenyl 2-methylbutanoate

C7H14O2Si — CID 123588942

IUPAC2-silylethenyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC=C[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-6(2)7(8)9-4-5-10/h4-6H,3H2,1-2,10H3
InChIKeyWCLBACHFWWWPEA-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.41
Rot. Bonds3

About 2-silylethenyl 2-methylbutanoate

2-silylethenyl 2-methylbutanoate (PubChem CID 123588942) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-silylethenyl 2-methylbutanoate.

Molecular Properties

Compound Name2-silylethenyl 2-methylbutanoate
PubChem CID123588942
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-silylethenyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC=C[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-6(2)7(8)9-4-5-10/h4-6H,3H2,1-2,10H3
InChIKeyWCLBACHFWWWPEA-UHFFFAOYSA-N
XLogP0.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-silylethenyl 2-methylbutanoate?
The IUPAC name of 2-silylethenyl 2-methylbutanoate (CID 123588942) is 2-silylethenyl 2-methylbutanoate.
What is the SMILES notation for 2-silylethenyl 2-methylbutanoate?
The canonical SMILES for 2-silylethenyl 2-methylbutanoate is CCC(C)C(=O)OC=C[SiH3].
What is the InChIKey of 2-silylethenyl 2-methylbutanoate?
The InChIKey is WCLBACHFWWWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-3-6(2)7(8)9-4-5-10/h4-6H,3H2,1-2,10H3.
What are the key properties of 2-silylethenyl 2-methylbutanoate?
2-silylethenyl 2-methylbutanoate has a molecular weight of 158.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silylethenyl 2-methylbutanoate is sourced from PubChem (CID 123588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).