(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one

C19H34O6Si — CID 10834057

IUPAC(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C19H34O6Si/c1-16(2,3)26(8,9)21-11-19-10-12-14(23-17(4,5)22-12)13(20)15(19)24-18(6,7)25-19/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+,19+/m1/s1
InChIKeyFTPAGSLXVORDBB-IBWPGLOJSA-N
MW386.56 g/mol
LogP3.39
Rot. Bonds3

About (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one

(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (PubChem CID 10834057) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one.

Molecular Properties

Compound Name(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
PubChem CID10834057
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C19H34O6Si/c1-16(2,3)26(8,9)21-11-19-10-12-14(23-17(4,5)22-12)13(20)15(19)24-18(6,7)25-19/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+,19+/m1/s1
InChIKeyFTPAGSLXVORDBB-IBWPGLOJSA-N
XLogP3.39
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one with MolForge

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Related Compounds

(3'aR,4S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-3a,6,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 10587168
(3R,7R,9R)-7-(fluoromethyl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
CID 60067835
(3'aR,4S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,5,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 11832032
(1S,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11973877
(2'R,3'aS,7'R,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-methoxy-3'a-methylspiro[1,3-dioxolane-2,4'-3,5,6,7-tetrahydro-2H-1-benzofuran]-7'a-carbaldehyde
CID 102276400
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 168333537
(1R,3R,7R,9R)-7-(fluoromethyl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
CID 10683707
(3'aR,4S,7'R,7'aR)-7'-(methoxymethoxy)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-3a,6,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 10615310
methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10621849
methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10709325
2,2,2',2'-Tetramethylspiro[1,3-dioxolane-4,5'-3a,6,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 20617432
5,5,11,11-Tetramethyl-7-(methylperoxymethyl)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
CID 22081795

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The IUPAC name of (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (CID 10834057) is (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one.
What is the SMILES notation for (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The canonical SMILES for (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is CC1(C)O[C@@H]2C[C@@]3(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1.
What is the InChIKey of (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The InChIKey is FTPAGSLXVORDBB-IBWPGLOJSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-16(2,3)26(8,9)21-11-19-10-12-14(23-17(4,5)22-12)13(20)15(19)24-18(6,7)25-19/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+,19+/m1/s1.
What are the key properties of (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
(1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one has a molecular weight of 386.56 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,9R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is sourced from PubChem (CID 10834057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).