(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one

C18H30O2Si — CID 11472284

IUPAC(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C18H30O2Si/c1-17(2,3)21(5,6)20-11-18(4)10-14-12-7-8-13(9-12)15(14)16(18)19/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14-,15+,18-/m1/s1
InChIKeyRKXMJXORQPHVKD-FQRJBHLQSA-N
MW306.52 g/mol
LogP4.43
Rot. Bonds3

About (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11472284) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11472284
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C18H30O2Si/c1-17(2,3)21(5,6)20-11-18(4)10-14-12-7-8-13(9-12)15(14)16(18)19/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14-,15+,18-/m1/s1
InChIKeyRKXMJXORQPHVKD-FQRJBHLQSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11472284) is (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one is CC(C)(C)[Si](C)(C)OC[C@@]1(C)C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is RKXMJXORQPHVKD-FQRJBHLQSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-17(2,3)21(5,6)20-11-18(4)10-14-12-7-8-13(9-12)15(14)16(18)19/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14-,15+,18-/m1/s1.
What are the key properties of (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 306.52 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,6R,7S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyltricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).