Chemical ID: 5120116

CC1CC(=O)C=C(C2C1CC(C2)C(C)C)C
Chemical ID:
5120116
Name [?]:
2-isopropyl-4,8-dimethyl-2,3,3a,7,8,8a-hexahydro-1H-azulen-6-one
SMILES [?]:
CC1CC(=O)C=C(C2C1CC(C2)C(C)C)C
InChi [?]:
InChI=1/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,9,11-12,14-15H,6-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:14,15,16,1,6,3,12,10,13,7,2,11,4,8,9,5/E:(1,2)/rA:16cCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s2s8;s9;s10;s8s11;s11;s13;s13;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:4
ZAP Information [?]
Total:8.50311
Area:397.827
Solvation:-1.44255
Coulombic:-9.98285
Bond Count [?]
All:17
Single:15
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:220.35
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.68
LogP (Chemaxon):4.1

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Descriptor Annotations

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