3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid

C15H27O3P — CID 87674765

IUPAC3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CCP(=O)(O)O
InChIInChI=1S/C15H27O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)
InChIKeyDSVZUYVWXFXSKG-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.58
Rot. Bonds8

About 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid

3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid (PubChem CID 87674765) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid
PubChem CID87674765
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CCP(=O)(O)O
InChIInChI=1S/C15H27O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)
InChIKeyDSVZUYVWXFXSKG-UHFFFAOYSA-N
XLogP4.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.58
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'}

Analyze 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SQ-34919
CID 10382597
(2E, 6E)-farnesylbisphosphonate
CID 9871730
Geranyl biphosphonate
CID 10086833
((E)-8,12-Dimethyl-1-phosphono-trideca-7,11-dienyl)-phosphonic acid
CID 10339001
((E)-7,11-Dimethyl-1-phosphono-dodeca-6,10-dienyl)-phosphonic acid
CID 10405846
Digeranyl Bisphosphonate
CID 11606263
tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane
CID 15261217
[(3E,7E)-1-[hydroxy(methyl)phosphoryl]-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 9999696
[(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
[hydroxy-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphoryl]methylphosphonic acid
CID 10249060

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid (CID 87674765) is 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid is CC(C)=CCCC(C)=CCCC(C)=CCP(=O)(O)O.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid?
The InChIKey is DSVZUYVWXFXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O3P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18).
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid?
3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid has a molecular weight of 286.35 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trienylphosphonic acid is sourced from PubChem (CID 87674765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).