Chemical ID: 5073025

CC(=C)CC(CC=C)C(=O)O
Chemical ID:
5073025
Name [?]:
2-allyl-4-methyl-pent-4-enoic acid
SMILES [?]:
CC(=C)CC(CC=C)C(=O)O
InChi [?]:
InChI=1/C9H14O2/c1-4-5-8(9(10)11)6-7(2)3/h4,8H,1-2,5-6H2,3H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:8,3,1,7,6,4,2,5,9,10,11/E:(10,11)/rA:11cCCCCCCCCCOO/rB:s1;d2;s2;s4;s5;s6;d7;s5;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.90516
Area:335.821
Solvation:-1.49037
Coulombic:-29.4984
Bond Count [?]
All:10
Single:7
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:154.206
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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