[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid

C15H27O4P — CID 5353399

IUPAC[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)P(=O)(O)O
InChIInChI=1S/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)/b13-9+,14-11+
InChIKeyMONZTFSZTWQCKH-IJFRVEDASA-N
MW302.35 g/mol
LogP3.90
Rot. Bonds8

About [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid

[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid (PubChem CID 5353399) has the molecular formula C15H27O4P and a molecular weight of 302.35 g/mol. Its IUPAC name is [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid.

Molecular Properties

Compound Name[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
PubChem CID5353399
Molecular FormulaC15H27O4P
Molecular Weight302.35 g/mol
Exact Mass302.16
IUPAC Name[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)P(=O)(O)O
InChIInChI=1S/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)/b13-9+,14-11+
InChIKeyMONZTFSZTWQCKH-IJFRVEDASA-N
XLogP3.90
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid?
The IUPAC name of [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid (CID 5353399) is [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid.
What is the SMILES notation for [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid?
The canonical SMILES for [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)P(=O)(O)O.
What is the InChIKey of [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid?
The InChIKey is MONZTFSZTWQCKH-IJFRVEDASA-N. The full InChI is InChI=1S/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)/b13-9+,14-11+.
What are the key properties of [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid?
[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid has a molecular weight of 302.35 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid is sourced from PubChem (CID 5353399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).