2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate

C13H24O3Si — CID 20631232

IUPAC2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](C)(C)CCCC(=C)C
InChIInChI=1S/C13H24O3Si/c1-6-13(14)15-9-10-16-17(4,5)11-7-8-12(2)3/h6H,1-2,7-11H2,3-5H3
InChIKeyKTQWHJCWOWNROB-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.29
Rot. Bonds9

About 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate

2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate (PubChem CID 20631232) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
PubChem CID20631232
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](C)(C)CCCC(=C)C
InChIInChI=1S/C13H24O3Si/c1-6-13(14)15-9-10-16-17(4,5)11-7-8-12(2)3/h6H,1-2,7-11H2,3-5H3
InChIKeyKTQWHJCWOWNROB-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
2-[[[[dimethyl-[[methyl-bis(2-prop-2-enoyloxyethoxy)silyl]methyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl-methyl-(2-prop-2-enoyloxyethoxy)silyl]oxyethyl prop-2-enoate
CID 155602776
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[diacetyloxy(methyl)silyl]ethyl prop-2-enoate
CID 154136555
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate (CID 20631232) is 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate is C=CC(=O)OCCO[Si](C)(C)CCCC(=C)C.
What is the InChIKey of 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate?
The InChIKey is KTQWHJCWOWNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-13(14)15-9-10-16-17(4,5)11-7-8-12(2)3/h6H,1-2,7-11H2,3-5H3.
What are the key properties of 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate?
2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate has a molecular weight of 256.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 20631232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).