Chemical ID: 4554123

CCCc1cc2c(cc1OCC)oc(=O)c3c2CCC3
Chemical ID:
4554123
Name [?]:
None
SMILES [?]:
CCCc1cc2c(cc1OCC)oc(=O)c3c2CCC3
InChi [?]:
InChI=1/C17H20O3/c1-3-6-11-9-14-12-7-5-8-13(12)17(18)20-16(14)10-15(11)19-4-2/h9-10H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,19,3,18,20,5,8,4,17,16,6,9,7,14,15,10,13/rA:20nCCCCCCCCCOCCOCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s6d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.03404
Area:470.246
Solvation:-2.7221
Coulombic:-27.1355
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.339
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):4.29

Name Annotations

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Descriptor Annotations

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