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Chemical ID: 4257007
Chemical ID:
4257007
Name [?]:
3-methoxycarbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
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)
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:15cCCCCCCCCOOCOOCC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;d11;s11;s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.56485 |
Area: | 367.52 |
Solvation: | -2.62315 |
Coulombic: | -45.2221 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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