Chemical ID: 5162445

C=CCC12CCCCC1=CC(=O)CC2
Chemical ID:
5162445
Name [?]:
4a-allyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILES [?]:
C=CCC12CCCCC1=CC(=O)CC2
InChi [?]:
InChI=1/C13H18O/c1-2-7-13-8-4-3-5-11(13)10-12(14)6-9-13/h2,10H,1,3-9H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,13,3,5,14,10,9,11,4,12/rA:14cCCCCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;d9;s10;d11;s11;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.26507
Area:351.069
Solvation:-1.51166
Coulombic:-10.4749
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.21
LogP (Chemaxon):3.39

Name Annotations

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Descriptor Annotations

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