Structure Database (LMSD)
Common Name
(4R,7S)-7-isopropyl-4-methyloxepan-2-one
Systematic Name
(4R,7S)-4-methyl-7-(propan-2-yl)oxepan-2-one
Synonyms
- (4R,7S)-4-methyl-7-(1-methylethyl)-2-oxepanone
- (4R,7S)-4-methyl-7-(1-methylethyl)oxepan-2-one
- (4R-trans)-4-methyl-7-(1-methylethyl)-2-oxepanone
- (4R-trans)-7-isopropyl-4-methyloxepan-2-one
3D model of (4R,7S)-7-isopropyl-4-methyloxepan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
GGAXPLCKKANQED-BDAKNGLRSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
SMILES (Click to copy)
C[C@@H]1CC[C@@H](C(C)C)OC(=O)C1
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
184.14
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.66
Molar Refractivity
48.24
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Created at
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Updated at
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