8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate

C27H54O8Si2 — CID 10886253

IUPAC8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate
SMILESCC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](O)CC(=O)OC(C)(C)C
InChIInChI=1S/C27H54O8Si2/c1-18(2)32-24(31)23(35-37(14,15)27(9,10)11)22(34-36(12,13)26(6,7)8)20(29)16-19(28)17-21(30)33-25(3,4)5/h18-19,22-23,28H,16-17H2,1-15H3/t19-,22-,23+/m1/s1
InChIKeyXIKCKIDMXJJILP-PTUXOGIPSA-N
MW562.89 g/mol
LogP5.77
Rot. Bonds12

About 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate

8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate (PubChem CID 10886253) has the molecular formula C27H54O8Si2 and a molecular weight of 562.89 g/mol. Its IUPAC name is 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate.

Molecular Properties

Compound Name8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate
PubChem CID10886253
Molecular FormulaC27H54O8Si2
Molecular Weight562.89 g/mol
Exact Mass562.34
IUPAC Name8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate
SMILESCC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](O)CC(=O)OC(C)(C)C
InChIInChI=1S/C27H54O8Si2/c1-18(2)32-24(31)23(35-37(14,15)27(9,10)11)22(34-36(12,13)26(6,7)8)20(29)16-19(28)17-21(30)33-25(3,4)5/h18-19,22-23,28H,16-17H2,1-15H3/t19-,22-,23+/m1/s1
InChIKeyXIKCKIDMXJJILP-PTUXOGIPSA-N
XLogP5.77
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate 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

8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
diethyl (2S,3S,4S,5S,6S,7S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctanedioate
CID 14737948
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
2-[3-[[[[Dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(3-hydroxy-2-oxopropyl)butanedioic acid
CID 57687970
2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]-2-(3-hydroxy-2-oxopropyl)butanedioic acid
CID 57687989
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate
CID 152369342
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 173794841
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxooxan-2-yl]acetate
CID 174042099
8-O-tert-butyl 1-O-propan-2-yl (2S,3R,4S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dihydroxyoctanedioate
CID 11146157
8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 15265820
ethyl (2S,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxydodecanoate
CID 49871779

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate?
The IUPAC name of 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate (CID 10886253) is 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate.
What is the SMILES notation for 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate?
The canonical SMILES for 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate is CC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](O)CC(=O)OC(C)(C)C.
What is the InChIKey of 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate?
The InChIKey is XIKCKIDMXJJILP-PTUXOGIPSA-N. The full InChI is InChI=1S/C27H54O8Si2/c1-18(2)32-24(31)23(35-37(14,15)27(9,10)11)22(34-36(12,13)26(6,7)8)20(29)16-19(28)17-21(30)33-25(3,4)5/h18-19,22-23,28H,16-17H2,1-15H3/t19-,22-,23+/m1/s1.
What are the key properties of 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate?
8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate has a molecular weight of 562.89 g/mol, XLogP of 5.77, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate is sourced from PubChem (CID 10886253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).