Chemical ID: 6382987

CCCCOC(=O)C1CCC(=CC1)C
Chemical ID:
6382987
Name [?]:
butyl 4-methylcyclohex-3-ene-1-carboxylate
SMILES [?]:
CCCCOC(=O)C1CCC(=CC1)C
InChi [?]:
InChI=1/C12H20O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5,11H,3-4,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,12,10,13,9,4,11,8,6,7,5/rA:14cCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.76403
Area:403.825
Solvation:-1.3316
Coulombic:-20.3979
Bond Count [?]
All:14
Single:12
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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