ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid

C16H36O11P2 — CID 166907584

IUPACethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
SMILESCCP(=O)(O)OCC(O)COCCOCCOCCOCCOP(=O)(O)C(C)C
InChIInChI=1S/C16H36O11P2/c1-4-28(18,19)27-14-16(17)13-25-10-9-23-6-5-22-7-8-24-11-12-26-29(20,21)15(2)3/h15-17H,4-14H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGPKPLHLNQWRUGF-UHFFFAOYSA-N
MW466.40 g/mol
LogP1.25
Rot. Bonds20

About ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid

ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid (PubChem CID 166907584) has the molecular formula C16H36O11P2 and a molecular weight of 466.40 g/mol. Its IUPAC name is ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid.

Molecular Properties

Compound Nameethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
PubChem CID166907584
Molecular FormulaC16H36O11P2
Molecular Weight466.40 g/mol
Exact Mass466.17
IUPAC Nameethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
SMILESCCP(=O)(O)OCC(O)COCCOCCOCCOCCOP(=O)(O)C(C)C
InChIInChI=1S/C16H36O11P2/c1-4-28(18,19)27-14-16(17)13-25-10-9-23-6-5-22-7-8-24-11-12-26-29(20,21)15(2)3/h15-17H,4-14H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGPKPLHLNQWRUGF-UHFFFAOYSA-N
XLogP1.25
TPSA150.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

butan-2-yl-[3-[2-[2-[2-[2-[hexan-3-yl(methoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]-2-hydroxypropoxy]phosphinic acid
CID 166853139
(2-hydroxy-3-octadecoxypropoxy)-propan-2-ylphosphinate
CID 177097808
ethane;(3-heptadecoxy-2-hydroxypropyl) dihydrogen phosphate
CID 159833302
diethyl hydrogen phosphate;1-(2-hydroxybutoxy)butan-2-ol;1-[2-(2-hydroxybutoxy)ethoxy]butan-2-ol;methane;1-propoxypropane
CID 157391095
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
2-(2-hydroxy-3-phosphonooxypropoxy)ethyl-trimethylazanium
CID 174875717
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
3-[hydroxy(propan-2-yl)phosphoryl]oxypropanoic acid
CID 90164494
(2-hydroxy-3-propoxypropyl)phosphonic acid
CID 174615667
tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
CID 149237603
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-icosoxypropyl] hydrogen phosphate
CID 52927460
2,3-dihydroxypropyl (2-hydroxy-3-icosoxypropyl) hydrogen phosphate
CID 75960345

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The IUPAC name of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid (CID 166907584) is ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid.
What is the SMILES notation for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The canonical SMILES for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid is CCP(=O)(O)OCC(O)COCCOCCOCCOCCOP(=O)(O)C(C)C.
What is the InChIKey of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The InChIKey is GPKPLHLNQWRUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O11P2/c1-4-28(18,19)27-14-16(17)13-25-10-9-23-6-5-22-7-8-24-11-12-26-29(20,21)15(2)3/h15-17H,4-14H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid has a molecular weight of 466.40 g/mol, XLogP of 1.25, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid is sourced from PubChem (CID 166907584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).