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

C17H28O2Si — CID 10968333

IUPAC(1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-10-13-9-14(18)16-12-7-6-11(8-12)15(13)16/h6-7,11-13,15-16H,8-10H2,1-5H3/t11-,12+,13+,15-,16+/m1/s1
InChIKeyDMHSIPZMLYURMN-GADBESIXSA-N
MW292.50 g/mol
LogP4.04
Rot. Bonds3

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

(1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 10968333) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID10968333
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-10-13-9-14(18)16-12-7-6-11(8-12)15(13)16/h6-7,11-13,15-16H,8-10H2,1-5H3/t11-,12+,13+,15-,16+/m1/s1
InChIKeyDMHSIPZMLYURMN-GADBESIXSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.04
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

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
(1R,2R,5S,6R,7S)-5-[tri(propan-2-yl)silyloxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 25112090
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
(3R,11S,12R)-5-[tert-butyl(dimethyl)silyl]oxypentacyclo[13.2.1.02,14.03,12.06,11]octadeca-5,16-dien-13-one
CID 134836275
(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 138976285
(1R,2S,4E,5S,6S,7S)-5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-4-[(E)-pent-2-enylidene]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10906590
(1R,2S,4E,5S,6S,7S)-5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-4-pent-2-ynylidenetricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10972502
(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
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 18990277
(3aS,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 22852583

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one (CID 10968333) is (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is DMHSIPZMLYURMN-GADBESIXSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-10-13-9-14(18)16-12-7-6-11(8-12)15(13)16/h6-7,11-13,15-16H,8-10H2,1-5H3/t11-,12+,13+,15-,16+/m1/s1.
What are the key properties of (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 292.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,7S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 10968333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).