2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol

C14H31NO8 — CID 138651323

IUPAC2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol
SMILESCN(CCO)CCOOCCOCC(COCCO)OCCO
InChIInChI=1S/C14H31NO8/c1-15(2-4-16)3-7-22-23-11-10-20-13-14(21-9-6-18)12-19-8-5-17/h14,16-18H,2-13H2,1H3
InChIKeyLCUJZKJVJZJCKA-UHFFFAOYSA-N
MW341.40 g/mol
LogP-1.74
Rot. Bonds18

About 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol

2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol (PubChem CID 138651323) has the molecular formula C14H31NO8 and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol
PubChem CID138651323
Molecular FormulaC14H31NO8
Molecular Weight341.40 g/mol
Exact Mass341.20
IUPAC Name2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol
SMILESCN(CCO)CCOOCCOCC(COCCO)OCCO
InChIInChI=1S/C14H31NO8/c1-15(2-4-16)3-7-22-23-11-10-20-13-14(21-9-6-18)12-19-8-5-17/h14,16-18H,2-13H2,1H3
InChIKeyLCUJZKJVJZJCKA-UHFFFAOYSA-N
XLogP-1.74
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol
CID 59567842
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
2-(1,3-dioctoxypropan-2-yloxy)ethanol
CID 132520295
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-[3-[dihydroxy(propan-2-yl)silyl]oxy-2-(2-hydroxyethoxy)propoxy]ethanol
CID 162461189
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
2-[2-(2-hydroxyethoxy)ethoxy]-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol;2-(2-hydroxyethoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol;2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-3-(2-propoxyethoxy)propoxy]ethanol;2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-3-propoxypropan-1-ol;2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-propoxypropan-1-ol;2-[1-[(2-methylpropan-2-yl)oxy]-3-propoxypropan-2-yl]oxyethanol;2-[2-[1-[(2-methylpropan-2-yl)oxy]-3-propoxypropan-2-yl]oxyethoxy]ethanol
CID 159241430
2-[2,3-bis[2-[3-(2-hydroxyethoxy)pentanoyloxy]ethoxy]propoxy]ethyl 3-(2-hydroxyethoxy)pentanoate;methane
CID 163881594
2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11578221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol (CID 138651323) is 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol is CN(CCO)CCOOCCOCC(COCCO)OCCO.
What is the InChIKey of 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol?
The InChIKey is LCUJZKJVJZJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO8/c1-15(2-4-16)3-7-22-23-11-10-20-13-14(21-9-6-18)12-19-8-5-17/h14,16-18H,2-13H2,1H3.
What are the key properties of 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol?
2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol has a molecular weight of 341.40 g/mol, XLogP of -1.74, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,3-bis(2-hydroxyethoxy)propoxy]ethylperoxy]ethyl-methylamino]ethanol is sourced from PubChem (CID 138651323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).