Chemical ID: 5153648

CC1(CO1)C2CCC(=CC2)C(=O)OC
Chemical ID:
5153648
Name [?]:
methyl 4-(2-methyloxiran-2-yl)cyclohexene-1-carboxylate
SMILES [?]:
CC1(CO1)C2CCC(=CC2)C(=O)OC
InChi [?]:
InChI=1/C11H16O3/c1-11(7-14-11)9-5-3-8(4-6-9)10(12)13-2/h3,9H,4-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,7,10,6,3,8,5,11,2,12,13,4/rA:14cCCCOCCCCCCCOOC/rB:s1;s2;s2s3;s2;s5;s6;s7;d8;s5s9;s8;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.09437
Area:376.442
Solvation:-3.31667
Coulombic:-28.0077
Bond Count [?]
All:15
Single:13
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.243
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.08
LogP (Chemaxon):1.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue