(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one

C22H38O6Si2 — CID 11733145

IUPAC(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
SMILESC[C@]12CC[C@H]1C(=O)O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H]2CC[C@]12C
InChIInChI=1S/C22H38O6Si2/c1-21-11-9-13(21)19(23)25-17(21)15(27-29(3,4)5)16(28-30(6,7)8)18-22(2)12-10-14(22)20(24)26-18/h13-18H,9-12H2,1-8H3/t13-,14-,15-,16-,17+,18+,21-,22-/m0/s1
InChIKeyNYSDOOLDWAENTE-YPMJTPKOSA-N
MW454.71 g/mol
LogP4.11
Rot. Bonds7

About (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one

(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one (PubChem CID 11733145) has the molecular formula C22H38O6Si2 and a molecular weight of 454.71 g/mol. Its IUPAC name is (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
PubChem CID11733145
Molecular FormulaC22H38O6Si2
Molecular Weight454.71 g/mol
Exact Mass454.22
IUPAC Name(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
SMILESC[C@]12CC[C@H]1C(=O)O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H]2CC[C@]12C
InChIInChI=1S/C22H38O6Si2/c1-21-11-9-13(21)19(23)25-17(21)15(27-29(3,4)5)16(28-30(6,7)8)18-22(2)12-10-14(22)20(24)26-18/h13-18H,9-12H2,1-8H3/t13-,14-,15-,16-,17+,18+,21-,22-/m0/s1
InChIKeyNYSDOOLDWAENTE-YPMJTPKOSA-N
XLogP4.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one 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

(1R,4S,5S)-4-[(1S,2S)-1,2-dihydroxy-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]ethyl]-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
CID 135033247
(1S,4R,5R)-4-[(1R,2R)-2-[(1R,2R,5S)-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
CID 10862847
(1S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 10883861
(1S,2S,5S,6S,7S,8S)-5,8-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4,9-dioxatricyclo[5.3.0.02,6]decane-3,10-dione
CID 10983340
(5S,8S)-5,8-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4,9-dioxatricyclo[5.3.0.02,6]decane-3,10-dione
CID 10983341
(1R,4S,5S)-4-[(1R,2R)-2-[(1S,2S,5R)-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
CID 11091225
(1S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 21632900
5,8-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4,9-dioxatricyclo[5.3.0.02,6]decane-3,10-dione
CID 42619999
[(1S,2S,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]methyl 2,2-dimethylpropanoate
CID 71697222
[(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]methyl 2,2-dimethylpropanoate
CID 71697316
(1S,4R,5R)-4-[(1R,2R)-2-[(1R,2R,5S)-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-di(propan-2-yloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one
CID 100952440
(1R,4S,5S)-4-[(1R,2R)-1,2-dihydroxy-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]ethyl]-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
CID 101029126

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one (CID 11733145) is (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one is C[C@]12CC[C@H]1C(=O)O[C@@H]2[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H]2CC[C@]12C.
What is the InChIKey of (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one?
The InChIKey is NYSDOOLDWAENTE-YPMJTPKOSA-N. The full InChI is InChI=1S/C22H38O6Si2/c1-21-11-9-13(21)19(23)25-17(21)15(27-29(3,4)5)16(28-30(6,7)8)18-22(2)12-10-14(22)20(24)26-18/h13-18H,9-12H2,1-8H3/t13-,14-,15-,16-,17+,18+,21-,22-/m0/s1.
What are the key properties of (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one?
(1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one has a molecular weight of 454.71 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-5-methyl-4-[(1R,2R)-2-[(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-3-oxabicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 11733145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).