This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(3R,6E)-nerolidol

PubChem CID: 11241545

Connections displayed (default: 10).
Loading graph...

Compound Synonyms (3R,6E)-nerolidol, 77551-75-8, Nerolidol, (6E)-(-)-, trans-(R)-Nerolidol, (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, (3R)-(6E)-nerolidol, UOC0644V25, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6E)-, 17430-12-5, (E)-nerolidol, UNII-UOC0644V25, (-)-Nerolidol, (e)-(r)-nerolidol, Nerolidol, (-)-, FEMA No. 2772, E-(-)-, (-)-(R)-Nerolidol, (3R)-(E)-nerolidol, (6E)-(-)-nerolidol, BIDD:ER0616, UNII-9A7Y7619GR, CHEBI:59959, 9A7Y7619GR, DTXSID901338722, FEMA No. 2772, (-)-, C19746, Q27126989, (3R,6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R)-, 28U
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Prediction Hob 1.0
Xlogp 4.6
Molecular Formula C15H26O
Prediction Swissadme 1.0
Inchi Key FQTLCLSUCSAZDY-GOFCXVBSSA-N
Fcsp3 0.6
Logs -5.059
Rotatable Bond Count 7.0
Logd 4.244
Compound Name (3R,6E)-nerolidol
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -3.7996063999999996
Inchi 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
Smiles CC(=CCC/C(=C/CC[C@](C)(C=C)O)/C)C
Nring 0.0
Defined Bond Stereocenter Count 1.0