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Chemical ID: 5250912
Chemical ID:
5250912
Name [?]:
2-methoxy-2-[4-[[4-(2-methoxy-3,3-dimethyl-oxiran-2-yl)phenyl]methyl]phenyl]-3,3-dimethyl-oxirane
SMILES [?]:
CC1(C(O1)(c2ccc(cc2)Cc3ccc(cc3)C4(C(O4)(C)C)OC)OC)C
InChi [?]:
InChI=1/C23H28O4/c1-20(2)22(24-5,26-20)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)23(25-6)21(3,4)27-23/h7-14H,15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,21,22,26,24,7,9,13,17,6,10,14,16,11,8,12,5,15,2,19,3,18,25,23,4,20/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27cCCCOCCCCCCCCCCCCCCCOCCOCOCC/rB:s1;s2;s2s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s18s19;s19;s19;s18;s23;s3;s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.98018 |
Area: | 601.26 |
Solvation: | -5.05133 |
Coulombic: | -41.9954 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.466 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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