2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid

C34H67O19P — CID 134564914

IUPAC2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
SMILESCCOCCOCCOCCOCCOCCOCCOP(=O)(CC(CCC(=O)O)C(=O)O)OCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C34H67O19P/c1-3-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-50-27-29-52-54(39,31-32(34(37)38)5-6-33(35)36)53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-4-2/h32H,3-31H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyTZRWVDKPZQNOHF-UHFFFAOYSA-N
MW810.86 g/mol
LogP2.02
Rot. Bonds46

About 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid

2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid (PubChem CID 134564914) has the molecular formula C34H67O19P and a molecular weight of 810.86 g/mol. Its IUPAC name is 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid.

Molecular Properties

Compound Name2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
PubChem CID134564914
Molecular FormulaC34H67O19P
Molecular Weight810.86 g/mol
Exact Mass810.40
IUPAC Name2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
SMILESCCOCCOCCOCCOCCOCCOCCOP(=O)(CC(CCC(=O)O)C(=O)O)OCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C34H67O19P/c1-3-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-50-27-29-52-54(39,31-32(34(37)38)5-6-33(35)36)53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-4-2/h32H,3-31H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyTZRWVDKPZQNOHF-UHFFFAOYSA-N
XLogP2.02
TPSA220.89 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.86
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(3-ethoxypropoxy)phosphorylmethyl]pentanedioic acid
CID 140903597
2-(diethoxyphosphorylmethyl)pentanedioic acid
CID 118871925
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-(diethoxyphosphorylmethyl)-5-oxo-5-prop-2-enoxypentanoic acid
CID 118895962
(2R)-2-[6-(2-ethoxyethoxy)-3-oxohexyl]-4-oxohenicosanedioic acid
CID 158277924
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-[[hydroxy(phenylmethoxy)phosphoryl]methyl]pentanedioic acid
CID 10448434
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
CID 175753969

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid?
The IUPAC name of 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid (CID 134564914) is 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid.
What is the SMILES notation for 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid?
The canonical SMILES for 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid is CCOCCOCCOCCOCCOCCOCCOP(=O)(CC(CCC(=O)O)C(=O)O)OCCOCCOCCOCCOCCOCCOCC.
What is the InChIKey of 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid?
The InChIKey is TZRWVDKPZQNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67O19P/c1-3-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-50-27-29-52-54(39,31-32(34(37)38)5-6-33(35)36)53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-4-2/h32H,3-31H2,1-2H3,(H,35,36)(H,37,38).
What are the key properties of 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid?
2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid has a molecular weight of 810.86 g/mol, XLogP of 2.02, 46 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid is sourced from PubChem (CID 134564914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).