(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one

C21H34O2Si — CID 11024455

IUPAC(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one
SMILESCC1(C)C(=O)C=C[C@]2(C)[C@@]3(C)C=C[C@@]12C[C@H]3O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H34O2Si/c1-17(2,3)24(8,9)23-16-14-21-13-12-19(16,6)20(21,7)11-10-15(22)18(21,4)5/h10-13,16H,14H2,1-9H3/t16-,19+,20-,21-/m1/s1
InChIKeyCHXZZHVSCDLZHO-UMSONDCASA-N
MW346.59 g/mol
LogP5.51
Rot. Bonds2

About (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one

(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one (PubChem CID 11024455) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one.

Molecular Properties

Compound Name(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one
PubChem CID11024455
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one
SMILESCC1(C)C(=O)C=C[C@]2(C)[C@@]3(C)C=C[C@@]12C[C@H]3O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H34O2Si/c1-17(2,3)24(8,9)23-16-14-21-13-12-19(16,6)20(21,7)11-10-15(22)18(21,4)5/h10-13,16H,14H2,1-9H3/t16-,19+,20-,21-/m1/s1
InChIKeyCHXZZHVSCDLZHO-UMSONDCASA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-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,3S,6R,7R,11S)-3-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 21457240
(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one
CID 11027024
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
(1S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1-(furan-3-yl)-4,4,7a-trimethyl-1,5,6,7-tetrahydroinden-2-one
CID 10833274
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,6,8a-trimethyl-1,2,3,5,7,8-hexahydronaphthalene-2,3-diol
CID 102023847
(4R,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101333069
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one?
The IUPAC name of (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one (CID 11024455) is (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one.
What is the SMILES notation for (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one?
The canonical SMILES for (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one is CC1(C)C(=O)C=C[C@]2(C)[C@@]3(C)C=C[C@@]12C[C@H]3O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one?
The InChIKey is CHXZZHVSCDLZHO-UMSONDCASA-N. The full InChI is InChI=1S/C21H34O2Si/c1-17(2,3)24(8,9)23-16-14-21-13-12-19(16,6)20(21,7)11-10-15(22)18(21,4)5/h10-13,16H,14H2,1-9H3/t16-,19+,20-,21-/m1/s1.
What are the key properties of (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one?
(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one has a molecular weight of 346.59 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one is sourced from PubChem (CID 11024455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).