methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate

C23H42O3Si2 — CID 46944391

IUPACmethyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate
SMILESCCC[C@@H](C[C@H](CC(=O)OC)[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si2/c1-10-14-19(26-28(8,9)23(2,3)4)17-21(18-22(24)25-5)27(6,7)20-15-12-11-13-16-20/h11-13,15-16,19,21H,10,14,17-18H2,1-9H3/t19-,21+/m0/s1
InChIKeyWIXQXSZSSJIZSM-PZJWPPBQSA-N
MW422.76 g/mol
LogP6.12
Rot. Bonds10

About methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate

methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate (PubChem CID 46944391) has the molecular formula C23H42O3Si2 and a molecular weight of 422.76 g/mol. Its IUPAC name is methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate.

Molecular Properties

Compound Namemethyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate
PubChem CID46944391
Molecular FormulaC23H42O3Si2
Molecular Weight422.76 g/mol
Exact Mass422.27
IUPAC Namemethyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate
SMILESCCC[C@@H](C[C@H](CC(=O)OC)[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si2/c1-10-14-19(26-28(8,9)23(2,3)4)17-21(18-22(24)25-5)27(6,7)20-15-12-11-13-16-20/h11-13,15-16,19,21H,10,14,17-18H2,1-9H3/t19-,21+/m0/s1
InChIKeyWIXQXSZSSJIZSM-PZJWPPBQSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.76
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
CID 101808213
methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
CID 134900951
(3R)-4-[(2S,6R)-6-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enyl]oxan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 89570696
methyl 2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexyl]-2-phenylselanylacetate
CID 10766789
methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 10885702
ethyl (4S)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-enoate
CID 12170570
(5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]oxolan-2-one
CID 12190362
methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
CID 15390413
(4S,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-one
CID 71489605
2-((2R,4S,6S)-4-((tert-Butyldimethylsilyl)oxy-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-yl)acetic acid
CID 71489704
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783
methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate
CID 101126563

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate?
The IUPAC name of methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate (CID 46944391) is methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate.
What is the SMILES notation for methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate?
The canonical SMILES for methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate is CCC[C@@H](C[C@H](CC(=O)OC)[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate?
The InChIKey is WIXQXSZSSJIZSM-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H42O3Si2/c1-10-14-19(26-28(8,9)23(2,3)4)17-21(18-22(24)25-5)27(6,7)20-15-12-11-13-16-20/h11-13,15-16,19,21H,10,14,17-18H2,1-9H3/t19-,21+/m0/s1.
What are the key properties of methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate?
methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate has a molecular weight of 422.76 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]octanoate is sourced from PubChem (CID 46944391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).