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(R,5E,9E)-8-Methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan

PubChem CID: 91711711

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Compound Synonyms NWLNPDFDTSFGEU-JBMXZMKISA-N, (R,5E,9E)-8-Methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan, Cyclodeca[b]furan, 4,7,8,11-tetrahydro-8-methoxy-3,6,10-trimethyl-, (5E,8R,9E)-, Cyclodeca[b]furan, 4,7,8,11-tetrahydro-8-methoxy-3,6,10-trimethyl-, [R-(E,E)]-
Topological Polar Surface Area 22.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 343.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (5E,8R,9E)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C16H22O2
Prediction Swissadme 1.0
Inchi Key NWLNPDFDTSFGEU-JBMXZMKISA-N
Fcsp3 0.5
Logs -4.209
Rotatable Bond Count 1.0
Logd 3.647
Compound Name (R,5E,9E)-8-Methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
Prediction Hob Swissadme 1.0
Exact Mass 246.162
Formal Charge 0.0
Monoisotopic Mass 246.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 246.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Esol -3.466225555555556
Inchi InChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8+/t14-/m1/s1
Smiles C/C/1=C\CC2=C(C/C(=C/[C@@H](C1)OC)/C)OC=C2C
Nring 2.0
Defined Bond Stereocenter Count 2.0

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