Chemical ID: 4998461

CCOC(=O)C1CCc2c(c(cc(c2OC)C)C)C1=O
Chemical ID:
4998461
Name [?]:
ethyl 5-methoxy-6,8-dimethyl-1-oxo-tetralin-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCc2c(c(cc(c2OC)C)C)C1=O
InChi [?]:
InChI=1/C16H20O4/c1-5-20-16(18)12-7-6-11-13(14(12)17)9(2)8-10(3)15(11)19-4/h8,12H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,17,16,2,8,7,12,11,13,9,6,10,19,14,4,20,5,15,3/rA:20cCCOCOCCCCCCCCCOCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s13;s11;s6s10;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.67669
Area:458.129
Solvation:-3.77653
Coulombic:-32.8122
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.328
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.38
LogP (Chemaxon):2.8

Name Annotations

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Descriptor Annotations

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