Chemical ID: 4559387

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC5(C4)OCCO5)C
Chemical ID:
4559387
Name [?]:
None
SMILES [?]:
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC5(C4)OCCO5)C
InChi [?]:
InChI=1/C21H30O3/c1-19-9-10-21(23-11-12-24-21)13-14(19)3-4-15-16-5-6-18(22)20(16,2)8-7-17(15)19/h3,15-17H,4-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:24,1,13,12,8,9,4,3,16,17,21,22,19,14,6,7,5,10,15,2,18,11,20,23/E:(11,12)(23,24)/rA:24cCCCCCCCCCCOCCCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;d10;s6;s12;d13;s5s14;s15;s16;s17;s14s18;s18;s20;s21;s18s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:5
ZAP Information [?]
Total:8.40092
Area:484.943
Solvation:-3.72266
Coulombic:-26.0329
Bond Count [?]
All:28
Single:26
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:330.461
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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