Chemical ID: 4905202

CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
Chemical ID:
4905202
Name [?]:
None
SMILES [?]:
CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
InChi [?]:
InChI=1/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,20,21,9,10,3,2,8,4,11,5,6,17,7,16,15,12,18,22,19,14/rA:22cCCCCCCCCCCCOCOCCCOOCCO/rB:s1;s2;s3;s4;s5;s6;s2s7;s8;d9;s7s10;d11;s7;s6;s14;s5s15;s16;d17;s4s17;s16;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:8
ZAP Information [?]
Total:5.7198
Area:430.441
Solvation:-5.04123
Coulombic:-51.4525
Bond Count [?]
All:25
Single:22
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:306.354
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.67
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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