28U
Summary
Name: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
Synonyms: | trans-Nerolidol |
Formula: | C15 H26 O |
Formal charge: | 0 |
Formula weight: | 222.366 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
OpenEye OEToolkits | 1.7.6 | (3R)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(/C=C)(CC/C=C(/CC/C=C(\C)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1 |
InChIKey | InChI | 1.03 | FQTLCLSUCSAZDY-GOFCXVBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CC[C@@](C)(O)C=C |
SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCC[C](C)(O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=CCC[C@](C)(C=C)O)C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=CCCC(C)(C=C)O)C)C |