Chemical ID: 6530067

CC(CC(=O)Cl)CC(C)(C)C
Chemical ID:
6530067
Name [?]:
3,5,5-trimethylhexanoyl chloride
SMILES [?]:
CC(CC(=O)Cl)CC(C)(C)C
InChi [?]:
InChI=1/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,10,11,3,7,2,4,8,6,5/E:(2,3,4)/rA:11cCCCCOClCCCCC/rB:s1;s2;s3;d4;s4;s2;s7;s8;s8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17ClO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:7.61804
Area:350.196
Solvation:-1.13685
Coulombic:-10.5475
Bond Count [?]
All:10
Single:9
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.683
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):3.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue