2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate

C13H26O2Si — CID 123221931

IUPAC2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate
SMILESC=C(C)C(C)(C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)13(3,4)10-12(14)15-8-9-16(5,6)7/h1,8-10H2,2-7H3
InChIKeyYJSHNTBSNRKIHA-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.86
Rot. Bonds6

About 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate

2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate (PubChem CID 123221931) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate
PubChem CID123221931
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate
SMILESC=C(C)C(C)(C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)13(3,4)10-12(14)15-8-9-16(5,6)7/h1,8-10H2,2-7H3
InChIKeyYJSHNTBSNRKIHA-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,4-trimethylpent-4-enoate
CID 13111080
(+)-3-(t-Butyldimethylsilyloxymethyl)-3,4-dimethylpent-4-enoic acid ethyl ester
CID 129825964
4-Pentenecarboxylic acid, 2-methyl-3-methylene-4-trimethylsilyl-, methyl ester
CID 553446
3-Trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
CID 91593558
Ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 102123937
Ethyl 2-ethyl-2,4-dimethylpent-4-enoate
CID 123952423
cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 10538044
Ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
CID 10680893
Ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate
CID 10956254
Methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpent-4-enoate
CID 53342314

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate?
The IUPAC name of 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate (CID 123221931) is 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate is C=C(C)C(C)(C)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate?
The InChIKey is YJSHNTBSNRKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)13(3,4)10-12(14)15-8-9-16(5,6)7/h1,8-10H2,2-7H3.
What are the key properties of 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate?
2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate has a molecular weight of 242.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3,3,4-trimethylpent-4-enoate is sourced from PubChem (CID 123221931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).