Chemical ID: 6667670

CC(=O)OC1CCCCC1OC
Chemical ID:
6667670
Name [?]:
(2-methoxycyclohexyl) acetate
SMILES [?]:
CC(=O)OC1CCCCC1OC
InChi [?]:
InChI=1/C9H16O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h8-9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,7,9,6,2,10,5,3,11,4/rA:12cCCOOCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.08822
Area:343.734
Solvation:-3.50513
Coulombic:-24.9725
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.222
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.35
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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