6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one

C24H42O7Si — CID 134974004

IUPAC6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one
SMILESCOC1([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3OC(C)(C)OCC3O2)C2CC(=O)OC21
InChIInChI=1S/C24H42O7Si/c1-13(2)32(14(3)4,15(5)6)31-17-11-19(24(26-9)16-10-20(25)29-22(16)24)28-18-12-27-23(7,8)30-21(17)18/h13-19,21-22H,10-12H2,1-9H3/t16?,17-,18?,19-,21+,22?,24?/m1/s1
InChIKeyZNMJNLRBZSKLMZ-GYBXGUAHSA-N
MW470.68 g/mol
LogP4.19
Rot. Bonds7

About 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one

6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one (PubChem CID 134974004) has the molecular formula C24H42O7Si and a molecular weight of 470.68 g/mol. Its IUPAC name is 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one
PubChem CID134974004
Molecular FormulaC24H42O7Si
Molecular Weight470.68 g/mol
Exact Mass470.27
IUPAC Name6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one
SMILESCOC1([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3OC(C)(C)OCC3O2)C2CC(=O)OC21
InChIInChI=1S/C24H42O7Si/c1-13(2)32(14(3)4,15(5)6)31-17-11-19(24(26-9)16-10-20(25)29-22(16)24)28-18-12-27-23(7,8)30-21(17)18/h13-19,21-22H,10-12H2,1-9H3/t16?,17-,18?,19-,21+,22?,24?/m1/s1
InChIKeyZNMJNLRBZSKLMZ-GYBXGUAHSA-N
XLogP4.19
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-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

(1S,2R,6R,7R,9R)-12,12-ditert-butyl-3,8,11,13-tetraoxa-12-silatetracyclo[7.4.0.02,6.05,7]tridecan-4-one
CID 101242532
Methyl (3r,5r)-5-{[t-butyl(dimethyl)silyl]-oxy}-6-[(7r)-5,5-dimethyl-4,6-dioxaspiro[2.5]oct-7-yl]-3-methylhexanoate
CID 129758728
ethyl (1S,3S,4S,4'R,5R,5'R,6S,6'R)-4',5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5'-dimethyl-6'-propan-2-ylspiro[2-oxabicyclo[4.1.0]heptane-3,2'-oxane]-1-carboxylate
CID 134969622
methyl 2-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2-methoxy-3-methylcyclopropane-1-carboxylate
CID 134974030
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
(1S,3R,8R,10S,14S)-6,6-ditert-butyl-14-methyl-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-one
CID 158777005
(1S,3R,7R,9S,13S)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxyethyl]-13-methyl-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-one
CID 173783904
2-[(1S,2'S,3R,4'S,5S,7R,9S,11R,13S)-5-[(2S)-butan-2-yl]-4',13-dimethyl-3'-triethylsilyloxyspiro[2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11,6'-oxane]-2'-yl]acetic acid
CID 174135181
(4R,4aS,8R,8aS)-4-[(2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-2,2,8-trimethyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 10937193
ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate
CID 11069112
(4R,4aR,6S,8aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 11161899
(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one
CID 11212852

Frequently Asked Questions

What is the IUPAC name of 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one (CID 134974004) is 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one is COC1([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3OC(C)(C)OCC3O2)C2CC(=O)OC21.
What is the InChIKey of 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one?
The InChIKey is ZNMJNLRBZSKLMZ-GYBXGUAHSA-N. The full InChI is InChI=1S/C24H42O7Si/c1-13(2)32(14(3)4,15(5)6)31-17-11-19(24(26-9)16-10-20(25)29-22(16)24)28-18-12-27-23(7,8)30-21(17)18/h13-19,21-22H,10-12H2,1-9H3/t16?,17-,18?,19-,21+,22?,24?/m1/s1.
What are the key properties of 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one?
6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one has a molecular weight of 470.68 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 134974004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).