ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate

C15H32O3Si — CID 87631785

IUPACethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
SMILESCCOC(=O)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-8-17-14(16)13(2)11-9-10-12-18-19(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeySBYDRCLLESODMM-ZDUSSCGKSA-N
MW288.50 g/mol
LogP4.38
Rot. Bonds8

About ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate

ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate (PubChem CID 87631785) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate.

Molecular Properties

Compound Nameethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
PubChem CID87631785
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nameethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
SMILESCCOC(=O)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-8-17-14(16)13(2)11-9-10-12-18-19(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeySBYDRCLLESODMM-ZDUSSCGKSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.38
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'}

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Related Compounds

Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 13320647
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-hexanoate
CID 99768813
(4R)-4-(3-trimethylsilylpropyl)oxan-2-one
CID 125510124
(3S,4S)-3-methyl-4-trimethylsilyloxepan-2-one
CID 139263739
ethyl (4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoate
CID 175678458
1-O-ethyl 3-O-propyl 2-(4-trimethylsilyloxybutyl)propanedioate
CID 18335953
[Tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
CID 18964710
3-(2'-Ethylcaproyloxy)-propyltriethoxysilane
CID 21431668

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The IUPAC name of ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate (CID 87631785) is ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate.
What is the SMILES notation for ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The canonical SMILES for ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate is CCOC(=O)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The InChIKey is SBYDRCLLESODMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-8-17-14(16)13(2)11-9-10-12-18-19(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate has a molecular weight of 288.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate is sourced from PubChem (CID 87631785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).