Structure Database (LMSD)
Common Name
(S)-beta-himachalene
Systematic Name
(4aS)-3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene 6β-himachal-1(11),4-diene
Synonyms
3D model of (S)-beta-himachalene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
LCOSCMLXPAQCLQ-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m1/s1
SMILES (Click to copy)
C1C2[C@]([H])(C(C)(C)CCCC=2C)C=C(C)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
238.06
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.87
Molar Refractivity
66.81
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Created at
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Updated at
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