Chemical ID: 5004992

CC(C)CC(CC(C)C)OP(=O)(O)O
Chemical ID:
5004992
Name [?]:
(1-isobutyl-3-methyl-butoxy)phosphonic acid
SMILES [?]:
CC(C)CC(CC(C)C)OP(=O)(O)O
InChi [?]:
InChI=1/C9H21O4P/c1-7(2)5-9(6-8(3)4)13-14(10,11)12/h7-9H,5-6H2,1-4H3,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,4,6,2,7,5,12,13,14,10,11/E:(1,2,3,4)(5,6)(7,8)(10,11,12)/rA:14nCCCCCCCCCOPOOO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;s10;d11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H21O4P
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.26971
Area:381.052
Solvation:-2.2566
Coulombic:-54.4629
Bond Count [?]
All:13
Single:12
Double:1
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.234
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.03
LogP (Chemaxon):2.09

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