3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid

C15H23O3P — CID 54148241

IUPAC3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid
SMILESCC(=C=CP(=O)(O)O)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H23O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-10,12H,5,8H2,1-4H3,(H2,16,17,18)
InChIKeyOFWYZXUWGUFXLK-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.47
Rot. Bonds6

About 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid

3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid (PubChem CID 54148241) has the molecular formula C15H23O3P and a molecular weight of 282.32 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid
PubChem CID54148241
Molecular FormulaC15H23O3P
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid
SMILESCC(=C=CP(=O)(O)O)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H23O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-10,12H,5,8H2,1-4H3,(H2,16,17,18)
InChIKeyOFWYZXUWGUFXLK-UHFFFAOYSA-N
XLogP4.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid?
The IUPAC name of 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid (CID 54148241) is 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid.
What is the SMILES notation for 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid?
The canonical SMILES for 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid is CC(=C=CP(=O)(O)O)C=CC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid?
The InChIKey is OFWYZXUWGUFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h6-7,9-10,12H,5,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid?
3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid has a molecular weight of 282.32 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid is sourced from PubChem (CID 54148241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).