Chemical ID: 5150323

CC1=C2CCCCC2COC1=O
Chemical ID:
5150323
Name [?]:
4-methyl-1,5,6,7,8,8a-hexahydroisochromen-3-one
SMILES [?]:
CC1=C2CCCCC2COC1=O
InChi [?]:
InChI=1/C10H14O2/c1-7-9-5-3-2-4-8(9)6-12-10(7)11/h8H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,9,2,8,3,11,12,10/rA:12cCCCCCCCCCOCO/rB:s1;d2;s3;s4;s5;s6;s3s7;s8;s9;s2s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.91445
Area:315.863
Solvation:-1.98213
Coulombic:-19.5772
Bond Count [?]
All:13
Single:11
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:166.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.66
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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