Chemical ID: 4557491

CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
Chemical ID:
4557491
Name [?]:
None
SMILES [?]:
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
InChi [?]:
InChI=1/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:14,1,16,15,12,11,6,7,3,13,4,5,9,2,8,10/E:(2,3)/rA:16cCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s2s4;s5;s6;s7;s8;s8s9;s9;s11;s4s12;d13;s8;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:4
ZAP Information [?]
Total:7.56551
Area:379.164
Solvation:-1.91359
Coulombic:-11.3956
Bond Count [?]
All:18
Single:17
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.35
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.61
LogP (Chemaxon):3.22

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Descriptor Annotations

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