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ScientificNameLabel
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1,2,3,4,4a,5,6,7,8,8a-decahydro-1,4a-dimethyl-7-(1-methylidene)-1-naphthalenol
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| PHCD compound ID : |
3346
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| Chemical Names : |
1,2,3,4,4a,5,6,7,8,8a-decahydro-1,4a-dimethyl-7-(1-methylidene)-1-naphthalenol
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| Molecular Formula : |
C15H26O1
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| Molecular Weight : |
222.198365
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More Details :
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| Names & Synonyms: |
(1R,4aR)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol , (1R,4aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
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| Smiles: |
CC(=C1CC[C@@]2([C@H](C1)[C@](C)(O)CCC2)C)C
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| InChi : |
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13-,14+,15+/m0/s1
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| InChi Key : |
InChIKey=STRABSCAWZINIF-RRFJBIMHSA-N
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| PubChem ID : |
91748545
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
8.388948
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.697
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| XLogP : |
4.132
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.292000
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| Herb list : |
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| Refrences & Litretures: |
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