ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate

C20H42O3Si — CID 134864009

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate
SMILESCCOC(=O)C(CCC(C)C)(CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-11-22-18(21)20(14-12-16(2)3,15-13-17(4)5)23-24(9,10)19(6,7)8/h16-17H,11-15H2,1-10H3
InChIKeyCJVLUSFIDUQXPD-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.18
Rot. Bonds10

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate (PubChem CID 134864009) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate
PubChem CID134864009
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate
SMILESCCOC(=O)C(CCC(C)C)(CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-11-22-18(21)20(14-12-16(2)3,15-13-17(4)5)23-24(9,10)19(6,7)8/h16-17H,11-15H2,1-10H3
InChIKeyCJVLUSFIDUQXPD-UHFFFAOYSA-N
XLogP6.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-difluoro-3-hydroxy-3,6-dimethylheptanoate
CID 62398779
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
diethyl 2-methyl-2-[2-(3-methylbutoxy)ethyl]propanedioate
CID 103972541
ethyl 2-(hydroxycarbamoyl)-5-methyl-2-(3-methylbutyl)hexanoate
CID 139661267
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756311
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate (CID 134864009) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate is CCOC(=O)C(CCC(C)C)(CCC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate?
The InChIKey is CJVLUSFIDUQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-11-22-18(21)20(14-12-16(2)3,15-13-17(4)5)23-24(9,10)19(6,7)8/h16-17H,11-15H2,1-10H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate has a molecular weight of 358.64 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate is sourced from PubChem (CID 134864009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).