Chemical ID: 6690774

CCOC(=O)CCC(C)C
Chemical ID:
6690774
Name [?]:
ethyl 4-methylpentanoate
SMILES [?]:
CCOC(=O)CCC(C)C
InChi [?]:
InChI=1/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,10,2,7,6,8,4,5,3/E:(2,3)/rA:10nCCOCOCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.00982
Area:337.517
Solvation:-1.4281
Coulombic:-19.0142
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:144.211
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.56
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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