ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate

C13H24O3Si — CID 173263877

IUPACethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
SMILESC=COC(=O)C(CC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C13H24O3Si/c1-5-11(12(14)15-6-2)13(17(3)4)9-7-8-10-16-13/h6,11,17H,2,5,7-10H2,1,3-4H3
InChIKeyGBLQIMFJRYAFGQ-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds5

About ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate

ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate (PubChem CID 173263877) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate.

Molecular Properties

Compound Nameethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
PubChem CID173263877
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
SMILESC=COC(=O)C(CC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C13H24O3Si/c1-5-11(12(14)15-6-2)13(17(3)4)9-7-8-10-16-13/h6,11,17H,2,5,7-10H2,1,3-4H3
InChIKeyGBLQIMFJRYAFGQ-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
CID 173159520
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
CID 173222317
ethenyl acetate;oxasilinane
CID 173450943
[2-[(2-dimethylsilyloxan-2-yl)methyl]oxan-2-yl]-ethenyl-methylsilane
CID 173175504
ethyl 2-(3-ethenyl-7,12-dioxaspiro[5.6]dodecan-3-yl)acetate
CID 16680748
dimethyl-[2-[1-methylsulfanyl-3-(2-silyloxan-2-yl)propyl]oxan-2-yl]silane
CID 174962208
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889
2-methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
ethanol;ethenyl acetate
CID 87099759
ethyl (2S)-2-formyloxane-2-carboxylate
CID 129408231
ethene;ethenyl acetate;hydrofluoride
CID 158693082
[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
CID 118541075

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate?
The IUPAC name of ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate (CID 173263877) is ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate.
What is the SMILES notation for ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate?
The canonical SMILES for ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate is C=COC(=O)C(CC)C1([SiH](C)C)CCCCO1.
What is the InChIKey of ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate?
The InChIKey is GBLQIMFJRYAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-11(12(14)15-6-2)13(17(3)4)9-7-8-10-16-13/h6,11,17H,2,5,7-10H2,1,3-4H3.
What are the key properties of ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate?
ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate has a molecular weight of 256.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate is sourced from PubChem (CID 173263877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).