[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate

C20H42O5Si — CID 71513664

IUPAC[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
SMILESC[C@H]([C@H](O)[C@H](C)COC(=O)C(C)(C)C)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O5Si/c1-14(13-24-18(23)19(3,4)5)17(22)15(2)16(21)11-12-25-26(9,10)20(6,7)8/h14-17,21-22H,11-13H2,1-10H3/t14-,15+,16-,17-/m1/s1
InChIKeyOCGLQPBZTGNCLW-YYIAUSFCSA-N
MW390.64 g/mol
LogP3.98
Rot. Bonds9

About [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate

[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate (PubChem CID 71513664) has the molecular formula C20H42O5Si and a molecular weight of 390.64 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
PubChem CID71513664
Molecular FormulaC20H42O5Si
Molecular Weight390.64 g/mol
Exact Mass390.28
IUPAC Name[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
SMILESC[C@H]([C@H](O)[C@H](C)COC(=O)C(C)(C)C)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O5Si/c1-14(13-24-18(23)19(3,4)5)17(22)15(2)16(21)11-12-25-26(9,10)20(6,7)8/h14-17,21-22H,11-13H2,1-10H3/t14-,15+,16-,17-/m1/s1
InChIKeyOCGLQPBZTGNCLW-YYIAUSFCSA-N
XLogP3.98
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyl-3-phenylmethoxyheptyl] 2,2-dimethylpropanoate
CID 71513942
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate (CID 71513664) is [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate is C[C@H]([C@H](O)[C@H](C)COC(=O)C(C)(C)C)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?
The InChIKey is OCGLQPBZTGNCLW-YYIAUSFCSA-N. The full InChI is InChI=1S/C20H42O5Si/c1-14(13-24-18(23)19(3,4)5)17(22)15(2)16(21)11-12-25-26(9,10)20(6,7)8/h14-17,21-22H,11-13H2,1-10H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?
[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate has a molecular weight of 390.64 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 71513664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).