(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

C17H26O2Si — CID 10979155

IUPAC(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-9,11-12,14-16H,10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1
InChIKeySWZPPTLXLISKAR-XHXGSEDSSA-N
MW290.48 g/mol
LogP3.95
Rot. Bonds2

About (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 10979155) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID10979155
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-9,11-12,14-16H,10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1
InChIKeySWZPPTLXLISKAR-XHXGSEDSSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.95
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'}

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Related Compounds

(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 10859313
1-[(1R,2S,3S,4S)-3-[2-tri(propan-2-yl)silyloxyethyl]-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-one
CID 11703011
(1aR,1bS,4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1b-methyl-1,1a,2,3,4,6a-hexahydrocyclopropa[a]inden-6-one
CID 53342371
(1S,6R,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 100920341
(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 134831967
(3aS,5aS,7R,8S,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-3a,5a,7,8,8a,8b-hexahydro-as-indacene-1,6-dione
CID 135010498
(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 138976285
(E)-2-(3-tert-Butyldimethylsilyloxy-3-cyclohexylprop-1-enyl)bicyclo[3,3,0]octan-6-one
CID 13241020
4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 53665047
(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,7-tetrahydro-1H-inden-4-one
CID 101049159
(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one
CID 10969199
(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 11033672

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 10979155) is (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is SWZPPTLXLISKAR-XHXGSEDSSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-9,11-12,14-16H,10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1.
What are the key properties of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 290.48 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 10979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).