Chemical ID: 7646381

CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
Chemical ID:
7646381
Name [?]:
None
SMILES [?]:
CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
InChi [?]:
InChI=1/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3
InChi Info:
AuxInfo=1/0/N:23,1,20,19,22,4,12,3,11,7,21,6,5,8,13,9,16,2,10,15,14,17,18/rA:23cCCCCCCCCCCCCCOCCOOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s5s9;s10;s11;s12;d13;s9s13;s15;d16;s8s16;s15;s10;s2s6;s2;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O3
All Atoms:49
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:7.65238
Area:466.375
Solvation:-4.00699
Coulombic:-27.3925
Bond Count [?]
All:26
Single:22
Double:4
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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