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Chemical ID: 5107187
Chemical ID:
5107187
Name [?]:
1,2,2,3-tetramethylcyclopentane-1-carbonyl chloride
SMILES [?]:
CC1CCC(C1(C)C)(C)C(=O)Cl
InChi [?]:
InChI=1/C10H17ClO/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,8,9,3,4,2,10,6,5,12,11/E:(2,3)/rA:12cCCCCCCCCCCOCl/rB:s1;s2;s3;s4;s2s5;s6;s6;s5;s5;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17ClO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.36722 |
Area: | 331.007 |
Solvation: | -0.907948 |
Coulombic: | -11.5231 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.694 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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