Chemical ID: 4734596

CC(C)(C)C=O
Chemical ID:
4734596
Name [?]:
2,2-dimethylpropanal
SMILES [?]:
CC(C)(C)C=O
InChi [?]:
InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,5,2,6/E:(1,2,3)/rA:6nCCCCCO/rB:s1;s2;s2;s2;d5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C5H10O
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:4.18409
Area:234.217
Solvation:-1.67134
Coulombic:-7.17915
Bond Count [?]
All:5
Single:4
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:86.1323
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.08
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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