Chemical ID: 4957650

CCCC(C)C(=O)OCC(CC)CC
Chemical ID:
4957650
Name [?]:
2-ethylbutyl 2-methylpentanoate
SMILES [?]:
CCCC(C)C(=O)OCC(CC)CC
InChi [?]:
InChI=1/C12H24O2/c1-5-8-10(4)12(13)14-9-11(6-2)7-3/h10-11H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,14,5,2,11,13,3,9,4,10,6,7,8/E:(2,3)(6,7)/rA:14cCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s10;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.09827
Area:412.332
Solvation:-1.21004
Coulombic:-20.9111
Bond Count [?]
All:13
Single:12
Double:1
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:200.318
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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