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ScientificNameLabel
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(E,E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-ol
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| PHCD compound ID : |
1449
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| Chemical Names : |
(E,E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-ol
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| Molecular Formula : |
C15H24O2
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| Molecular Weight : |
236.17763
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More Details :
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| Names & Synonyms: |
(2E,5E)-6-(5-isopropenyl-2-methyl-tetrahydrofuran-2-yl)-3-methyl-hexa-2,5-dien-1-ol , (2E,5E)-3-methyl-6-[2-methyl-5-(1-methylethenyl)-2-oxolanyl]-1-hexa-2,5-dienol , (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol , (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yl-oxolan-2-yl)hexa-2,5-dien-1-ol
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| Smiles: |
OC/C=C(/C/C=C/[C@]1(C)CC[C@H](O1)C(=C)C)\C
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| InChi : |
InChI=1S/C15H24O2/c1-12(2)14-7-10-15(4,17-14)9-5-6-13(3)8-11-16/h5,8-9,14,16H,1,6-7,10-11H2,2-4H3/b9-5+,13-8+/t14-,15+/m0/s1
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| InChi Key : |
InChIKey=RHOFVSRBKFWSOJ-LUCAKJCRSA-N
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| PubChem ID : |
6429051
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.570553
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
3.441
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| XLogP : |
2.219
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VDW volume : |
265.310847
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| Molecular weight : |
236.17763
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HOMO-LUMO gap : |
10.384000
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| Herb list : |
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