[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate

C21H44O4Si — CID 89353450

IUPAC[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
SMILESCC(=O)O[C@H](C(C)C)[C@H](C)[C@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H44O4Si/c1-13(2)19(24-17(7)22)15(5)18(23)16(6)20(14(3)4)25-26(11,12)21(8,9)10/h13-16,18-20,23H,1-12H3/t15-,16+,18+,19-,20-/m1/s1
InChIKeyRWUZUZCWJYLPNA-MEBIHWHUSA-N
MW388.67 g/mol
LogP5.25
Rot. Bonds9

About [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate

[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate (PubChem CID 89353450) has the molecular formula C21H44O4Si and a molecular weight of 388.67 g/mol. Its IUPAC name is [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
PubChem CID89353450
Molecular FormulaC21H44O4Si
Molecular Weight388.67 g/mol
Exact Mass388.30
IUPAC Name[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
SMILESCC(=O)O[C@H](C(C)C)[C@H](C)[C@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H44O4Si/c1-13(2)19(24-17(7)22)15(5)18(23)16(6)20(14(3)4)25-26(11,12)21(8,9)10/h13-16,18-20,23H,1-12H3/t15-,16+,18+,19-,20-/m1/s1
InChIKeyRWUZUZCWJYLPNA-MEBIHWHUSA-N
XLogP5.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate
CID 11257624
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
CID 11750793
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methylheptyl] 2,2-dimethylpropanoate
CID 134931595
[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate
CID 10566302
[(3R,4S,5R,6R,7R)-5,7-dihydroxy-4,6,8-trimethylnonan-3-yl] 2-methylpropanoate
CID 10850917
[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate
CID 11403796
(2R,4S,5S,6S,8R)-2,8-Dimethyl-4,6-dimethoxy-5-t-butyldimethylsilyloxy-9-pivaloyloxynonanol
CID 11826692
(2R,4S,5R,6S,8R)-1-Pivaloyloxy-2,8-dimethyl-4,6-dimethoxy-5-hydroxyl-9-t-butyldimethylsilyloxynonane
CID 22855816
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822515

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate?
The IUPAC name of [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate (CID 89353450) is [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate.
What is the SMILES notation for [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate?
The canonical SMILES for [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate is CC(=O)O[C@H](C(C)C)[C@H](C)[C@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate?
The InChIKey is RWUZUZCWJYLPNA-MEBIHWHUSA-N. The full InChI is InChI=1S/C21H44O4Si/c1-13(2)19(24-17(7)22)15(5)18(23)16(6)20(14(3)4)25-26(11,12)21(8,9)10/h13-16,18-20,23H,1-12H3/t15-,16+,18+,19-,20-/m1/s1.
What are the key properties of [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate?
[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate has a molecular weight of 388.67 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate is sourced from PubChem (CID 89353450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).