(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

C19H30O2Si — CID 134831967

IUPAC(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCCC1(O[Si](CC)(CC)CC)C=CC(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C19H30O2Si/c1-5-19(21-22(6-2,7-3)8-4)12-11-16(20)17-14-9-10-15(13-14)18(17)19/h9-12,14-15,17-18H,5-8,13H2,1-4H3
InChIKeySLTZSGDMMJSIEW-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.73
Rot. Bonds6

About (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 134831967) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID134831967
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCCC1(O[Si](CC)(CC)CC)C=CC(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C19H30O2Si/c1-5-19(21-22(6-2,7-3)8-4)12-11-16(20)17-14-9-10-15(13-14)18(17)19/h9-12,14-15,17-18H,5-8,13H2,1-4H3
InChIKeySLTZSGDMMJSIEW-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.73
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
(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 134831870
(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 138976285
(3aS,9aS,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-one
CID 139252599
(1S,2R,6R,7S,8R)-6-methoxy-6-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 154720340
(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57028852
(1R,7aR)-1-[(2R)-1-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-yl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57106106
(1R,7aR)-1-[(2R)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-yl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57141151
(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4R)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57147397
(1R,7aR)-1-[(2R)-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-yl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57242669
(1R,7aR)-1-[(2R)-1-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-yl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57287768
(1R,7aR)-7a-methyl-1-[(2R)-1-[(1S,4S)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 57300674

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 134831967) is (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is CCC1(O[Si](CC)(CC)CC)C=CC(=O)C2C3C=CC(C3)C21.
What is the InChIKey of (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is SLTZSGDMMJSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-5-19(21-22(6-2,7-3)8-4)12-11-16(20)17-14-9-10-15(13-14)18(17)19/h9-12,14-15,17-18H,5-8,13H2,1-4H3.
What are the key properties of (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 318.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 134831967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).