Structure Database (LMSD)

Common Name
(+)-13(17),15-Cleistanthadiene
Systematic Name
Synonyms
LM ID
LMPR0104100001
Status
Active
Exact Mass
Calculate m/z
272.2504
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GOFPPPBRKRVCKN-OAQMNZSCSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,15-18H,1-2,7-13H2,3-5H3/t15-,16-,17?,18-,20+/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])C1(C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 312.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.00
Molar Refractivity 87.50

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Created at
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Updated at
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