ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate

C13H26O3Si — CID 10956254

IUPACethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C13H26O3Si/c1-8-15-13(14)12(9-10(2)3)17(6,7)16-11(4)5/h11-12H,2,8-9H2,1,3-7H3
InChIKeyJCADFYSQWYJSFV-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds7

About ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate

ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate (PubChem CID 10956254) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate
PubChem CID10956254
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C13H26O3Si/c1-8-15-13(14)12(9-10(2)3)17(6,7)16-11(4)5/h11-12H,2,8-9H2,1,3-7H3
InChIKeyJCADFYSQWYJSFV-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Propan-2-yl 4-methylhexa-4,5-dienoate
CID 154709858
5-Heptenoic acid, 6-methyl-2-(1,1,1-trimethylsilyl)-, ethyl ester
CID 543913
[1-[Tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate
CID 59083653
Propan-2-yl 4-methylpent-4-enoate
CID 59532992
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
3-Trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
CID 91593558
2-Trimethylsilylethyl 3,3,4-trimethylpent-4-enoate
CID 123221931
(E)-ethyl 7-((tert-butyldimethylsilyl)oxy)-4-methylnon-4-enoate
CID 131744080
Propan-2-yl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 141701184

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate?
The IUPAC name of ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate (CID 10956254) is ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate?
The canonical SMILES for ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate is C=C(C)CC(C(=O)OCC)[Si](C)(C)OC(C)C.
What is the InChIKey of ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate?
The InChIKey is JCADFYSQWYJSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-15-13(14)12(9-10(2)3)17(6,7)16-11(4)5/h11-12H,2,8-9H2,1,3-7H3.
What are the key properties of ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate?
ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate is sourced from PubChem (CID 10956254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).