Chemical ID: 6919522

CCCCC=CCCCCCCCCCCCc1cc(cc(c1)O)O
Chemical ID:
6919522
Name [?]:
5-heptadec-12-enylbenzene-1,3-diol
SMILES [?]:
CCCCC=CCCCCCCCCCCCc1cc(cc(c1)O)O
InChi [?]:
InChI=1/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,19,23,21,18,20,22,25,24/E:(18,19)(22,23)(24,25)/rA:25nCCCCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;w5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H38O2
All Atoms:63
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:14.9891
Area:697.5
Solvation:-2.44843
Coulombic:-37.6258
Bond Count [?]
All:25
Single:21
Double:4
Rotors:15
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:346.547
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:8.23
LogP (Chemaxon):8.03

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Descriptor Annotations

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