(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid

C13H28O6P2 — CID 19814133

IUPAC(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid
SMILESCC(C)=CCCC(C)CCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C13H28O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7,12-13H,4-6,8-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)
InChIKeyOENOUDYHDZJNJE-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.61
Rot. Bonds10

About (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid

(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid (PubChem CID 19814133) has the molecular formula C13H28O6P2 and a molecular weight of 342.31 g/mol. Its IUPAC name is (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid.

Molecular Properties

Compound Name(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid
PubChem CID19814133
Molecular FormulaC13H28O6P2
Molecular Weight342.31 g/mol
Exact Mass342.14
IUPAC Name(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid
SMILESCC(C)=CCCC(C)CCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C13H28O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7,12-13H,4-6,8-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)
InChIKeyOENOUDYHDZJNJE-UHFFFAOYSA-N
XLogP3.61
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6,10-dimethyl-1-phosphonoundec-9-enyl)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

Related Compounds

((E)-8,12-Dimethyl-1-phosphono-trideca-7,11-dienyl)-phosphonic acid
CID 10339001
((E)-9,13-Dimethyl-1-phosphono-tetradeca-8,12-dienyl)-phosphonic acid
CID 9977175
((E)-10,14-Dimethyl-1-phosphono-pentadeca-9,13-dienyl)-phosphonic acid
CID 10430849
((8E,12E)-9,13,17-Trimethyl-1-phosphono-octadeca-8,12,16-trienyl)-phosphonic acid
CID 11744476
[Hydroxy-((3E,7E)-4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinoylmethyl]-phosphonic acid
CID 91935478
PMID7629799C2e
CID 54501617
(4,8,12-Trimethyl-1-phosphonotrideca-1,7,11-trienyl)phosphonic acid
CID 90872220
(3,7,11-Trimethyl-1-phosphonododeca-1,6,10-trienyl)phosphonic acid
CID 123234249
3-(2-Fluorocyclohexyl)but-2-enylphosphonic acid
CID 66796527
9,9-Bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930338
[2-(4-Methylcyclohex-3-en-1-yl)propyl]phosphonic acid
CID 113483
(10-Methyl-1-phosphonoundec-9-enyl)phosphonic acid
CID 19814131

Frequently Asked Questions

What is the IUPAC name of (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid?
The IUPAC name of (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid (CID 19814133) is (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid.
What is the SMILES notation for (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid?
The canonical SMILES for (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid is CC(C)=CCCC(C)CCCCC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid?
The InChIKey is OENOUDYHDZJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7,12-13H,4-6,8-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19).
What are the key properties of (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid?
(6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid has a molecular weight of 342.31 g/mol, XLogP of 3.61, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,10-dimethyl-1-phosphonoundec-9-enyl)phosphonic acid is sourced from PubChem (CID 19814133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).