Chemical ID: 4921378

CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C
Chemical ID:
4921378
Name [?]:
None
SMILES [?]:
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C
InChi [?]:
InChI=1/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3
InChi Info:
AuxInfo=1/0/N:18,1,25,4,13,12,3,5,22,17,14,11,7,19,15,8,2,6,10,9,20,16,24,23,21/E:(2,3)/rA:25cCCCCCCCCCCCCCCCOCCCOOCOOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s14;d17;s10s17;d19;s9;s6s21;s9;s8;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:8
ZAP Information [?]
Total:6.55437
Area:453.492
Solvation:-4.78295
Coulombic:-69.614
Bond Count [?]
All:29
Single:27
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:348.433
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.63
LogP (Chemaxon):3.24

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Descriptor Annotations

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