(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one

C20H38O5Si — CID 11361185

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one
SMILESCCC(=O)C(C)(C)[C@H](C[C@@]12OCC[C@@](C)(CO1)O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-15(21)18(5,6)16(24-26(8,9)17(2,3)4)13-20-22-12-11-19(7,25-20)14-23-20/h16H,10-14H2,1-9H3/t16-,19-,20+/m0/s1
InChIKeySRWCTXWZODXHMM-FFZOFVMBSA-N
MW386.61 g/mol
LogP4.65
Rot. Bonds7

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one (PubChem CID 11361185) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one
PubChem CID11361185
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one
SMILESCCC(=O)C(C)(C)[C@H](C[C@@]12OCC[C@@](C)(CO1)O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-15(21)18(5,6)16(24-26(8,9)17(2,3)4)13-20-22-12-11-19(7,25-20)14-23-20/h16H,10-14H2,1-9H3/t16-,19-,20+/m0/s1
InChIKeySRWCTXWZODXHMM-FFZOFVMBSA-N
XLogP4.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one with MolForge

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Related Compounds

(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 59071259

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one (CID 11361185) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one is CCC(=O)C(C)(C)[C@H](C[C@@]12OCC[C@@](C)(CO1)O2)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one?
The InChIKey is SRWCTXWZODXHMM-FFZOFVMBSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-10-15(21)18(5,6)16(24-26(8,9)17(2,3)4)13-20-22-12-11-19(7,25-20)14-23-20/h16H,10-14H2,1-9H3/t16-,19-,20+/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one has a molecular weight of 386.61 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one is sourced from PubChem (CID 11361185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).