Chemical ID: 6919724

CC(CCC(CO)C(=C)C)C(=O)[O-]
Chemical ID:
6919724
Name [?]:
5-(hydroxymethyl)-2,6-dimethyl-hept-6-enoate
SMILES [?]:
CC(CCC(CO)C(=C)C)C(=O)[O-]
InChi [?]:
InChI=1/C10H18O3/c1-7(2)9(6-11)5-4-8(3)10(12)13/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:9,10,1,3,4,6,8,2,5,11,7,12,13/E:(12,13)/rA:13cCCCCCCOCCCCOO-/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17O3-
All Atoms:30
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:-34.2887
Area:383.989
Solvation:-43.8884
Coulombic:-16.4936
Bond Count [?]
All:12
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:185.24
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.49
LogP (Chemaxon):1.8

Name Annotations

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Descriptor Annotations

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