Chemical ID: 4954976

CC1=CCC(CC1)C(=O)OC
Chemical ID:
4954976
Name [?]:
methyl 4-methylcyclohex-3-ene-1-carboxylate
SMILES [?]:
CC1=CCC(CC1)C(=O)OC
InChi [?]:
InChI=1/C9H14O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3,8H,4-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,3,7,4,6,2,5,8,9,10/rA:11cCCCCCCCCOOC/rB:s1;d2;s3;s4;s5;s2s6;s5;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.59511
Area:323.434
Solvation:-1.49074
Coulombic:-19.2974
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.206
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.7
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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