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Chemical ID: 4963341
Chemical ID:
4963341
Name [?]:
2,2-dimethylpentyl 2-methylpropanoate
SMILES [?]:
CCCC(C)(C)COC(=O)C(C)C
InChi [?]:
InChI=1/C11H22O2/c1-6-7-11(4,5)8-13-10(12)9(2)3/h9H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,13,5,6,2,3,7,11,9,4,10,8/E:(2,3)(4,5)/rA:13nCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s4;s4;s7;s8;d9;s9;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51855 |
Area: | 392.226 |
Solvation: | -1.28709 |
Coulombic: | -20.4822 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 186.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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