Chemical ID: 4369745

CC1(C(CCC1(C)C(=O)[O-])C(=O)OC)C
Chemical ID:
4369745
Name [?]:
3-methoxycarbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylate
SMILES [?]:
CC1(C(CCC1(C)C(=O)[O-])C(=O)OC)C
InChi [?]:
InChI=1/C11H18O4/c1-10(2)7(8(12)15-4)5-6-11(10,3)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,7,14,4,5,3,11,8,2,6,12,9,10,13/E:(1,2)(13,14)/rA:15cCCCCCCCCOO-COOCC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;d11;s11;s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17O4-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:-33.698
Area:366.068
Solvation:-42.8497
Coulombic:-16.7394
Bond Count [?]
All:15
Single:13
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.25
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.05
LogP (Chemaxon):2.1

Name Annotations

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Descriptor Annotations

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