Chemical ID: 5140837

CCC(C)CC(=O)C
Chemical ID:
5140837
Name [?]:
4-methylhexan-2-one
SMILES [?]:
CCC(C)CC(=O)C
InChi [?]:
InChI=1/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,8,2,5,3,6,7/rA:8cCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14O
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:5.55011
Area:283.887
Solvation:-1.54707
Coulombic:-7.26038
Bond Count [?]
All:7
Single:6
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:114.185
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.08
LogP (Chemaxon):2.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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