Chemical ID: 6529788

CCCCC(CC)C(=O)OCCCC
Chemical ID:
6529788
Name [?]:
butyl 2-ethylhexanoate
SMILES [?]:
CCCCC(CC)C(=O)OCCCC
InChi [?]:
InChI=1/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,7,2,13,6,3,12,4,11,5,8,9,10/rA:14cCCCCCCCCOOCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.57727
Area:435.536
Solvation:-1.31112
Coulombic:-20.9614
Bond Count [?]
All:13
Single:12
Double:1
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:200.318
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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