Chemical ID: 3967093

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O
Chemical ID:
3967093
Name [?]:
isopropyl 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
SMILES [?]:
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O
InChi [?]:
InChI=1/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,3,4,5,19,20,6,18,21,7,17,22,10,11,14,26,8,16,12,15,13,23,9,29,30,24,25/E:(2,3)/rA:30cCCCCCCCCOCCCCCCCCCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s12s15;s16;s17;w18;s19;s20;s21;s22;d23;s23;s25;s26;s26;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H44O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:4
ZAP Information [?]
Total:13.98
Area:770.317
Solvation:-5.27793
Coulombic:-61.0674
Bond Count [?]
All:30
Single:27
Double:3
Rotors:17
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:424.614
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.39
LogP (Chemaxon):5.01

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Descriptor Annotations

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