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Chemical ID: 4084331
Chemical ID:
4084331
Name [?]:
2-[[6-(oxiran-2-ylmethoxy)-1-naphthyl]oxymethyl]oxirane
SMILES [?]:
c1cc2cc(ccc2c(c1)OCC3CO3)OCC4CO4
InChi [?]:
InChI=1/C16H16O4/c1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14/h1-6,13-14H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,7,4,17,19,14,12,3,5,18,13,8,9,16,20,15,11/rA:20cCCCCCCCCCCOCCCOOCCCO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;s12;s13;s13s14;s5;s16;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.14541 |
Area: | 484.577 |
Solvation: | -6.96901 |
Coulombic: | -31.781 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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