ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate

C17H34O3Si — CID 102175483

IUPACethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
SMILESC=C[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC
InChIInChI=1S/C17H34O3Si/c1-9-14(6)15(17(7,8)16(18)19-10-2)20-21(11-3,12-4)13-5/h9,14-15H,1,10-13H2,2-8H3/t14-,15+/m0/s1
InChIKeyYILZCPAEBVSSCD-LSDHHAIUSA-N
MW314.54 g/mol
LogP4.79
Rot. Bonds10

About ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate

ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate (PubChem CID 102175483) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate.

Molecular Properties

Compound Nameethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
PubChem CID102175483
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
SMILESC=C[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC
InChIInChI=1S/C17H34O3Si/c1-9-14(6)15(17(7,8)16(18)19-10-2)20-21(11-3,12-4)13-5/h9,14-15H,1,10-13H2,2-8H3/t14-,15+/m0/s1
InChIKeyYILZCPAEBVSSCD-LSDHHAIUSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.79
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

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 15214226
tert-butyl (2R,3R,4S)-6,6-dibromo-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 42600668
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
CID 10523079
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
CID 10781443
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
CID 10827970
propan-2-yl (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enoate
CID 11023957

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate?
The IUPAC name of ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate (CID 102175483) is ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate.
What is the SMILES notation for ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate?
The canonical SMILES for ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate is C=C[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate?
The InChIKey is YILZCPAEBVSSCD-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-14(6)15(17(7,8)16(18)19-10-2)20-21(11-3,12-4)13-5/h9,14-15H,1,10-13H2,2-8H3/t14-,15+/m0/s1.
What are the key properties of ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate?
ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate is sourced from PubChem (CID 102175483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).