Chemical ID: 4257007

CC1(C(CCC1(C)C(=O)O)C(=O)OC)C
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

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Descriptor Annotations

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