[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate

C10H20O6 — CID 139750377

IUPAC[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate
SMILESCCC(=O)OC(C)(O)COCCOCCO
InChIInChI=1S/C10H20O6/c1-3-9(12)16-10(2,13)8-15-7-6-14-5-4-11/h11,13H,3-8H2,1-2H3
InChIKeyPCKASDNGCPJDTL-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.33
Rot. Bonds9

About [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate

[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate (PubChem CID 139750377) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate.

Molecular Properties

Compound Name[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate
PubChem CID139750377
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate
SMILESCCC(=O)OC(C)(O)COCCOCCO
InChIInChI=1S/C10H20O6/c1-3-9(12)16-10(2,13)8-15-7-6-14-5-4-11/h11,13H,3-8H2,1-2H3
InChIKeyPCKASDNGCPJDTL-UHFFFAOYSA-N
XLogP-0.33
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-hydroxyethoxy)ethoxy]-2-[[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl]amino]propan-2-ol
CID 87314889
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoic acid
CID 160933856
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate?
The IUPAC name of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate (CID 139750377) is [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate.
What is the SMILES notation for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate?
The canonical SMILES for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate is CCC(=O)OC(C)(O)COCCOCCO.
What is the InChIKey of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate?
The InChIKey is PCKASDNGCPJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-3-9(12)16-10(2,13)8-15-7-6-14-5-4-11/h11,13H,3-8H2,1-2H3.
What are the key properties of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate?
[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate has a molecular weight of 236.26 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate is sourced from PubChem (CID 139750377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).