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2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]cyclohexa-2,5-diene-1,4-dione

2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]cyclohexa-2,5-diene-1,4-dione

CAS: 24663-35-2

Formula: C64H98O4

SMILES: COC1=C(OC)C(=O)C(CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C)=C(C)C1=O

IUPAC: 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]cyclohexa-2,5-diene-1,4-dione

InChI: InChI=1S/C64H98O4/c1-48(2)26-16-27-49(3)28-17-29-50(4)30-18-31-51(5)32-19-33-52(6)34-20-35-53(7)36-21-37-54(8)38-22-39-55(9)40-23-41-56(10)42-24-43-57(11)44-25-45-58(12)46-47-60-59(13)61(65)63(67-14)64(68-15)62(60)66/h26,28,30,32,34,36,38,40,42,44,46H,16-

Composition: C (82.52%), H (10.61%), O (6.87%)

Molar Mass: 931.484

Atom Count: 166

Heavy Atom Count: 68

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 930.746511636
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CVJONNIQJBMOKV-BFWKMVRBSA-N
Lipinski's Rule of Five
Molar Refractivity 310.41
Topological Polar Surface Area 52.6
Polarizability 116.5
Ring Count 1
Rotatable Bond Count 34

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 24663-35-2 $109.14-$886.38$109.14$457.98$886.38
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