Chemical ID: 4259542

CC12CCC(=O)C=C1CCCC2=O
Chemical ID:
4259542
Name [?]:
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
SMILES [?]:
CC12CCC(=O)C=C1CCCC2=O
InChi [?]:
InChI=1/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,4,3,7,8,5,12,2,6,13/rA:13cCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s10;s2s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.40395
Area:327.257
Solvation:-2.77748
Coulombic:-14.5312
Bond Count [?]
All:14
Single:11
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.57
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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