[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate

C21H40O4Si — CID 11257624

IUPAC[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H](C)C#CCOC(C)=O
InChIInChI=1S/C21H40O4Si/c1-11-15(2)20(25-26(9,10)21(6,7)8)17(4)19(23)16(3)13-12-14-24-18(5)22/h15-17,19-20,23H,11,14H2,1-10H3/t15-,16+,17+,19+,20+/m0/s1
InChIKeyDIZQYTRFQWSRKL-AZNNDXHDSA-N
MW384.63 g/mol
LogP4.62
Rot. Bonds8

About [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate

[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate (PubChem CID 11257624) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate.

Molecular Properties

Compound Name[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate
PubChem CID11257624
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H](C)C#CCOC(C)=O
InChIInChI=1S/C21H40O4Si/c1-11-15(2)20(25-26(9,10)21(6,7)8)17(4)19(23)16(3)13-12-14-24-18(5)22/h15-17,19-20,23H,11,14H2,1-10H3/t15-,16+,17+,19+,20+/m0/s1
InChIKeyDIZQYTRFQWSRKL-AZNNDXHDSA-N
XLogP4.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822515
[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 89353450
[(2R,3R,4S,5S,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619146
[(2R,3R,4S,5R,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619158
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 155619160
[11-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 173887720
[11-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 173887724
[(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-ynyl] acetate
CID 10336646
[(3R,4S,5R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-3,7-dimethoxy-4,8-dimethylnonyl] 2,2-dimethylpropanoate
CID 10504272
[(4S,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-ynyl] 2,2-dimethylpropanoate
CID 10523210
[(4R,5S,8S)-9-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethylnon-2-ynyl] acetate
CID 10546209

Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate?
The IUPAC name of [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate (CID 11257624) is [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate.
What is the SMILES notation for [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate?
The canonical SMILES for [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate is CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H](C)C#CCOC(C)=O.
What is the InChIKey of [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate?
The InChIKey is DIZQYTRFQWSRKL-AZNNDXHDSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-11-15(2)20(25-26(9,10)21(6,7)8)17(4)19(23)16(3)13-12-14-24-18(5)22/h15-17,19-20,23H,11,14H2,1-10H3/t15-,16+,17+,19+,20+/m0/s1.
What are the key properties of [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate?
[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate has a molecular weight of 384.63 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate is sourced from PubChem (CID 11257624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).