Chemical ID: 6915261

CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O
Chemical ID:
6915261
Name [?]:
(1-hydroxy-3,7,11-trimethyl-dodecyl)phosphonic acid
SMILES [?]:
CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O
InChi [?]:
InChI=1/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,8,13,5,10,4,6,9,11,14,2,7,12,15,16,18,19,20,17/E:(1,2)(17,18,19)/rA:20cCCCCCCCCCCCCCCCOPOOO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s12;s12;s14;s15;s15;d17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H33O4P
All Atoms:53
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:10.6684
Area:569.522
Solvation:-3.56966
Coulombic:-61.5069
Bond Count [?]
All:19
Single:18
Double:1
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.394
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):3.82

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Descriptor Annotations

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