[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate

C13H24O3Si — CID 57284318

IUPAC[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
SMILESC=CC(=O)OCC(C1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-13(14)16-10-12(17(2,3)4)11-8-6-7-9-15-11/h5,11-12H,1,6-10H2,2-4H3
InChIKeyXQTRUSVGPWLNNC-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.99
Rot. Bonds5

About [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate

[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate (PubChem CID 57284318) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
PubChem CID57284318
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
SMILESC=CC(=O)OCC(C1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-13(14)16-10-12(17(2,3)4)11-8-6-7-9-15-11/h5,11-12H,1,6-10H2,2-4H3
InChIKeyXQTRUSVGPWLNNC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
CID 175540639
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
CID 123433393
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
2,2-dicyclohexyloxyethyl prop-2-enoate
CID 57291366
(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
CID 174524002
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
2,3-dibromopropyl prop-2-enoate
CID 29728

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate?
The IUPAC name of [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate (CID 57284318) is [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate.
What is the SMILES notation for [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate?
The canonical SMILES for [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate is C=CC(=O)OCC(C1CCCCO1)[Si](C)(C)C.
What is the InChIKey of [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate?
The InChIKey is XQTRUSVGPWLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-13(14)16-10-12(17(2,3)4)11-8-6-7-9-15-11/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate?
[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate has a molecular weight of 256.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate is sourced from PubChem (CID 57284318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).