Chemical ID: 5216069

CCOC(=O)C1CCc2ccc(c(c2C1)OC)OC
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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