ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide

C13H29NO6 — CID 135223188

IUPACethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
SMILESC=CC(N)=O.CCOCC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H10O.C3H5NO/c7-1-3-9-5-6-10-4-2-8;1-3-5-4-2;1-2-3(4)5/h7-8H,1-6H2;3-4H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyICEMWSIRELAUHC-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.30
Rot. Bonds10

About ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide

ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide (PubChem CID 135223188) has the molecular formula C13H29NO6 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide.

Molecular Properties

Compound Nameethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
PubChem CID135223188
Molecular FormulaC13H29NO6
Molecular Weight295.38 g/mol
Exact Mass295.20
IUPAC Nameethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
SMILESC=CC(N)=O.CCOCC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H10O.C3H5NO/c7-1-3-9-5-6-10-4-2-8;1-3-5-4-2;1-2-3(4)5/h7-8H,1-6H2;3-4H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyICEMWSIRELAUHC-UHFFFAOYSA-N
XLogP-0.30
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-(2-ethoxyethoxy)ethanol;methyl prop-2-enoate
CID 159658370
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide?
The IUPAC name of ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide (CID 135223188) is ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide.
What is the SMILES notation for ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide?
The canonical SMILES for ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide is C=CC(N)=O.CCOCC.OCCOCCOCCO.
What is the InChIKey of ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide?
The InChIKey is ICEMWSIRELAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H10O.C3H5NO/c7-1-3-9-5-6-10-4-2-8;1-3-5-4-2;1-2-3(4)5/h7-8H,1-6H2;3-4H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide?
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of -0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide is sourced from PubChem (CID 135223188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).