(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one

C16H26O2Si — CID 11119432

IUPAC(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-12(17)14-10-6-7-11(8-10)15(13)14/h6-7,10-11,13-15H,8-9H2,1-5H3/t10-,11+,13+,14+,15-/m1/s1
InChIKeyJXGKIMYPVJJAGR-VJFWYMLFSA-N
MW278.47 g/mol
LogP3.79
Rot. Bonds2

About (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11119432) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11119432
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-12(17)14-10-6-7-11(8-10)15(13)14/h6-7,10-11,13-15H,8-9H2,1-5H3/t10-,11+,13+,14+,15-/m1/s1
InChIKeyJXGKIMYPVJJAGR-VJFWYMLFSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.79
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

(3S,3aR,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 12167631
(1R,2R,5S,6R,7S)-5-[tri(propan-2-yl)silyloxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 25112090
(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
CID 57413056
(3S,3aS,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 134980131
(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
(1R,2S,4R,5S,6S,7S)-5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-4-pent-2-ynyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11113242
(1R,2S,5S,6R,7S)-5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
CID 100914575
(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
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one
CID 56609877
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
CID 57242292

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11119432) is (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is JXGKIMYPVJJAGR-VJFWYMLFSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-9-12(17)14-10-6-7-11(8-10)15(13)14/h6-7,10-11,13-15H,8-9H2,1-5H3/t10-,11+,13+,14+,15-/m1/s1.
What are the key properties of (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 278.47 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6S,7R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11119432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).