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Chemical ID: 5216069
Chemical ID:
5216069
Name [?]:
ethyl 7,8-dimethoxytetralin-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCc2ccc(c(c2C1)OC)OC
InChi [?]:
InChI=1/C15H20O4/c1-4-19-15(16)11-6-5-10-7-8-13(17-2)14(18-3)12(10)9-11/h7-8,11H,4-6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,2,8,7,10,11,15,9,6,14,12,13,4,5,18,16,3/rA:19cCCOCOCCCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s6s14;s13;s16;s12;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7739 |
Area: | 454.799 |
Solvation: | -4.59609 |
Coulombic: | -33.2148 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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