O-tert-Butyl-carbonyl-4-oxo Myrtenol - CAS 76163-96-7
Catalog: |
BB062022 |
Product Name: |
O-tert-Butyl-carbonyl-4-oxo Myrtenol |
CAS: |
76163-96-7 |
Synonyms: |
2,2-Dimethyl-propanoic Acid (1R)- (6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl)methyl Ester |
IUPAC Name: | [(1R,5R)-6,6-dimethyl-4-oxo-2-bicyclo[3.1.1]hept-2-enyl]methyl 2,2-dimethylpropanoate |
Description: | Intermediate in the preparation of HU 210 (H673500). |
Molecular Weight: | 250.33 |
Molecular Formula: | C15H22O3 |
Canonical SMILES: | CC1(C2CC1C(=O)C=C2COC(=O)C(C)(C)C)C |
InChI: | InChI=1S/C15H22O3/c1-14(2,3)13(17)18-8-9-6-12(16)11-7-10(9)15(11,4)5/h6,10-11H,7-8H2,1-5H3/t10-,11-/m0/s1 |
InChI Key: | NJIUSKQTOGHXSZ-QWRGUYRKSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | White Solid |
Storage: | 4°C |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.15689456 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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