Chemical ID: 4175611

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O)C
Chemical ID:
4175611
Name [?]:
5,7-dimethyladamantane-1,3-dicarboxylic acid
SMILES [?]:
CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O)C
InChi [?]:
InChI=1/C14H20O4/c1-11-3-12(2)6-13(4-11,9(15)16)8-14(5-11,7-12)10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,3,7,10,5,11,8,15,12,2,4,6,9,16,17,13,14/E:(1,2)(4,5,6,7)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/rA:18nCCCCCCCCCCCCOOCOOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s2s9;s4s9;s9;d12;s12;s6;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.71262
Area:395.609
Solvation:-2.1776
Coulombic:-53.7592
Bond Count [?]
All:20
Single:18
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.306
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.41
LogP (Chemaxon):2.89

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Descriptor Annotations

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