Chemical ID: 4950600

CCOC(=O)C1CCCCC1
Chemical ID:
4950600
Name [?]:
ethyl cyclohexanecarboxylate
SMILES [?]:
CCOC(=O)C1CCCCC1
InChi [?]:
InChI=1/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,6,4,5,3/E:(4,5)(6,7)/rA:11nCCOCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.94206
Area:329.937
Solvation:-1.30635
Coulombic:-19.46
Bond Count [?]
All:11
Single:10
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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