Chemical ID: 3965369

CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C
Chemical ID:
3965369
Name [?]:
(1-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl)phosphonic acid
SMILES [?]:
CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C
InChi [?]:
InChI=1/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,18,4,8,3,5,7,9,11,2,6,10,12,13,15,16,17,14/E:(1,2)(17,18,19)/rA:20cCCCCCCCCCCCCOPOOOCCC/rB:s1;d2;s3;s4;s5;w6;s7;s8;s9;w10;s11;s12;s12;d14;s14;s14;s10;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H27O4P
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.86709
Area:542.174
Solvation:-3.68727
Coulombic:-61.8519
Bond Count [?]
All:19
Single:15
Double:4
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:302.346
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.3
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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