[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid

C15H30O6P2 — CID 10339002

IUPAC[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
SMILESCOCP(=O)(O)C(CCC/C=C(\C)CCC=C(C)C)P(=O)(O)O
InChIInChI=1S/C15H30O6P2/c1-13(2)8-7-10-14(3)9-5-6-11-15(23(18,19)20)22(16,17)12-21-4/h8-9,15H,5-7,10-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-9+
InChIKeyCAOYIFBVILXMOX-NTEUORMPSA-N
MW368.35 g/mol
LogP4.23
Rot. Bonds11

About [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid

[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid (PubChem CID 10339002) has the molecular formula C15H30O6P2 and a molecular weight of 368.35 g/mol. Its IUPAC name is [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
PubChem CID10339002
Molecular FormulaC15H30O6P2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC Name[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
SMILESCOCP(=O)(O)C(CCC/C=C(\C)CCC=C(C)C)P(=O)(O)O
InChIInChI=1S/C15H30O6P2/c1-13(2)8-7-10-14(3)9-5-6-11-15(23(18,19)20)22(16,17)12-21-4/h8-9,15H,5-7,10-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-9+
InChIKeyCAOYIFBVILXMOX-NTEUORMPSA-N
XLogP4.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
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'}

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Frequently Asked Questions

What is the IUPAC name of [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid?
The IUPAC name of [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid (CID 10339002) is [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid.
What is the SMILES notation for [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid?
The canonical SMILES for [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid is COCP(=O)(O)C(CCC/C=C(\C)CCC=C(C)C)P(=O)(O)O.
What is the InChIKey of [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid?
The InChIKey is CAOYIFBVILXMOX-NTEUORMPSA-N. The full InChI is InChI=1S/C15H30O6P2/c1-13(2)8-7-10-14(3)9-5-6-11-15(23(18,19)20)22(16,17)12-21-4/h8-9,15H,5-7,10-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-9+.
What are the key properties of [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid?
[(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid has a molecular weight of 368.35 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-1-[hydroxy(methoxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid is sourced from PubChem (CID 10339002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).