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
LM ID
LMPR0103480006
Formula
Exact Mass
Calculate m/z
204.1878
Status
Active

Classification

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

CHEBI ID
PubChem CID

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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