Chemical ID: 6661882

CCCCCOc1ccc(c(c1)Cl)OCCCCC
Chemical ID:
6661882
Name [?]:
2-chloro-1,4-dipentoxy-benzene
SMILES [?]:
CCCCCOc1ccc(c(c1)Cl)OCCCCC
InChi [?]:
InChI=1/C16H25ClO2/c1-3-5-7-11-18-14-9-10-16(15(17)13-14)19-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,3,17,4,16,8,9,5,15,12,7,11,10,13,6,14/rA:19nCCCCCOCCCCCCClOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25ClO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.4788
Area:540.566
Solvation:-3.03535
Coulombic:-17.5694
Bond Count [?]
All:19
Single:16
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:284.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.31
LogP (Chemaxon):5.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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