[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid

C15H30O6P2 — CID 19108375

IUPAC[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCCCOCP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C15H30O6P2/c1-14(2)8-7-10-15(3)9-5-4-6-11-21-12-22(16,17)13-23(18,19)20/h8-9H,4-7,10-13H2,1-3H3,(H,16,17)(H2,18,19,20)/b15-9+
InChIKeyZYQUPSXJDYQFAI-OQLLNIDSSA-N
MW368.35 g/mol
LogP4.23
Rot. Bonds12

About [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid

[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid (PubChem CID 19108375) has the molecular formula C15H30O6P2 and a molecular weight of 368.35 g/mol. Its IUPAC name is [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid
PubChem CID19108375
Molecular FormulaC15H30O6P2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC Name[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCCCOCP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C15H30O6P2/c1-14(2)8-7-10-15(3)9-5-4-6-11-21-12-22(16,17)13-23(18,19)20/h8-9H,4-7,10-13H2,1-3H3,(H,16,17)(H2,18,19,20)/b15-9+
InChIKeyZYQUPSXJDYQFAI-OQLLNIDSSA-N
XLogP4.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic 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

[7,11-dimethyldodeca-6,10-dienoxymethyl(propan-2-yloxy)phosphoryl]methylphosphonic acid
CID 54138303
[[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid
CID 19108361
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
[hydroxy-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphoryl]formic acid
CID 11824066
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 57281469
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
[(5E,9E)-1-[hydroxy(methyl)phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 10386617
[(3E,7E)-1-[hydroxy(phosphonomethyl)phosphoryl]-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 10484367
[methoxy-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phosphoryl]methylphosphonic acid
CID 19108351
[methoxy-(3,7,11-trimethyldodeca-2,6,10-trienylamino)phosphoryl]methylphosphonic acid
CID 54016219

Frequently Asked Questions

What is the IUPAC name of [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid?
The IUPAC name of [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid (CID 19108375) is [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid.
What is the SMILES notation for [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid?
The canonical SMILES for [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid is CC(C)=CCC/C(C)=C/CCCCOCP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid?
The InChIKey is ZYQUPSXJDYQFAI-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H30O6P2/c1-14(2)8-7-10-15(3)9-5-4-6-11-21-12-22(16,17)13-23(18,19)20/h8-9H,4-7,10-13H2,1-3H3,(H,16,17)(H2,18,19,20)/b15-9+.
What are the key properties of [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid?
[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid has a molecular weight of 368.35 g/mol, XLogP of 4.23, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 19108375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).