(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C17H26O2Si — CID 138976285

IUPAC(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2C(C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-10-13-9-14-11-6-7-12(8-11)15(14)16(13)18/h6-7,9,11-12,14-15H,8,10H2,1-5H3/t11-,12+,14?,15?/m1/s1
InChIKeyBAYJTQKXSMGAED-RMNLLRHXSA-N
MW290.48 g/mol
LogP3.96
Rot. Bonds3

About (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 138976285) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID138976285
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2C(C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-10-13-9-14-11-6-7-12(8-11)15(14)16(13)18/h6-7,9,11-12,14-15H,8,10H2,1-5H3/t11-,12+,14?,15?/m1/s1
InChIKeyBAYJTQKXSMGAED-RMNLLRHXSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.96
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-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 134831967
(3aR,9aS)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-3-one
CID 134848908
(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,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
(5R,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 161770862
4-(Methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475516
(1S,2R,6R,7R)-4-(methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 172155366
(1S,2S,6S,7R)-4-(methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 172155387
(1S,6Z,7R,9Z,11S,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethylidene-10-methyltricyclo[9.3.0.03,7]tetradeca-3,9-dien-5-one
CID 10643055
(1S,6E,7R,9Z,11S,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethylidene-10-methyltricyclo[9.3.0.03,7]tetradeca-3,9-dien-5-one
CID 10738066

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 138976285) is (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is CC(C)(C)[Si](C)(C)OCC1=CC2C(C1=O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is BAYJTQKXSMGAED-RMNLLRHXSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-17(2,3)20(4,5)19-10-13-9-14-11-6-7-12(8-11)15(14)16(13)18/h6-7,9,11-12,14-15H,8,10H2,1-5H3/t11-,12+,14?,15?/m1/s1.
What are the key properties of (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
(1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 290.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 138976285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).