Chemical ID: 4084331

c1cc2cc(ccc2c(c1)OCC3CO3)OCC4CO4
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

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Descriptor Annotations

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