3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid

C15H25O3P — CID 54211224

IUPAC3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid
SMILESCC(C)=CCCC(C)=CC=CC(C)=CCP(=O)(O)O
InChIInChI=1S/C15H25O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H2,16,17,18)
InChIKeyPWBRDHJUJKCOAK-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.36
Rot. Bonds7

About 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid

3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid (PubChem CID 54211224) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid
PubChem CID54211224
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid
SMILESCC(C)=CCCC(C)=CC=CC(C)=CCP(=O)(O)O
InChIInChI=1S/C15H25O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H2,16,17,18)
InChIKeyPWBRDHJUJKCOAK-UHFFFAOYSA-N
XLogP4.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

SQ-34919
CID 10382597
(2E, 6E)-farnesylbisphosphonate
CID 9871730
Geranyl biphosphonate
CID 10086833
((E)-7,11-Dimethyl-1-phosphono-dodeca-6,10-dienyl)-phosphonic acid
CID 10405846
[(E)-1-(Hydroxy-methyl-phosphinoyl)-6,10-dimethyl-undeca-5,9-dienyl]-phosphonic acid
CID 10020005
((E)-5,9-Dimethyl-1-phosphono-deca-4,8-dienyl)-phosphonic acid
CID 10042032
[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium
CID 10087599
[(3E,7Z)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trienyl]phosphonic acid
CID 44452287
(6-Methyl-1-phosphono-hept-5-enyl)-phosphonic acid
CID 10265230
[(3E)-1-[hydroxy(methyl)phosphoryl]-4,8-dimethylnona-3,7-dienyl]phosphonic acid
CID 10358012
[hydroxy-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphoryl]methylphosphonic acid
CID 14167119
[[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-hydroxyphosphoryl]methylphosphonic acid
CID 14167123

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid?
The IUPAC name of 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid (CID 54211224) is 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid?
The canonical SMILES for 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid is CC(C)=CCCC(C)=CC=CC(C)=CCP(=O)(O)O.
What is the InChIKey of 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid?
The InChIKey is PWBRDHJUJKCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H2,16,17,18).
What are the key properties of 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid?
3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid has a molecular weight of 284.34 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,4,6,10-tetraenylphosphonic acid is sourced from PubChem (CID 54211224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).