ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate

C17H36O5Si — CID 11473515

IUPACethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O5Si/c1-9-21-16(20)15(19)14(18)13(3)10-12(2)11-22-23(7,8)17(4,5)6/h12-15,18-19H,9-11H2,1-8H3/t12-,13+,14-,15-/m1/s1
InChIKeyDCVWGHMSAYQLHA-LXTVHRRPSA-N
MW348.56 g/mol
LogP2.96
Rot. Bonds9

About ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate

ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate (PubChem CID 11473515) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate.

Molecular Properties

Compound Nameethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate
PubChem CID11473515
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Nameethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O5Si/c1-9-21-16(20)15(19)14(18)13(3)10-12(2)11-22-23(7,8)17(4,5)6/h12-15,18-19H,9-11H2,1-8H3/t12-,13+,14-,15-/m1/s1
InChIKeyDCVWGHMSAYQLHA-LXTVHRRPSA-N
XLogP2.96
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate with MolForge

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Related Compounds

methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
(2S,3R,5R,6S,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-11-methoxy-5,7-dimethyl-6,8-bis(trimethylsilyloxy)undecan-4-one
CID 11028171
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
Ethyl (2R,3S)-2-Hydroxy-3-(triisopropylsiloxy)decanoate
CID 11825278
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 24873843
(2S,3S,5R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,5,8,8-tetramethylnonanoic acid
CID 44131793
(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoic acid
CID 54578144
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
CID 134996680
(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 135012526

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate?
The IUPAC name of ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate (CID 11473515) is ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate.
What is the SMILES notation for ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate?
The canonical SMILES for ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate is CCOC(=O)[C@H](O)[C@H](O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate?
The InChIKey is DCVWGHMSAYQLHA-LXTVHRRPSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-9-21-16(20)15(19)14(18)13(3)10-12(2)11-22-23(7,8)17(4,5)6/h12-15,18-19H,9-11H2,1-8H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate?
ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate has a molecular weight of 348.56 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate is sourced from PubChem (CID 11473515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).