2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol

C16H36O8 — CID 158203924

IUPAC2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCOCCO.CCOC(C)=O.OCCOCCO
InChIInChI=1S/C8H18O3.C4H10O3.C4H8O2/c1-2-3-5-10-7-8-11-6-4-9;5-1-3-7-4-2-6;1-3-6-4(2)5/h9H,2-8H2,1H3;5-6H,1-4H2;3H2,1-2H3
InChIKeyGBGOEFCBALWARD-UHFFFAOYSA-N
MW356.46 g/mol
LogP0.37
Rot. Bonds13

About 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol

2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol (PubChem CID 158203924) has the molecular formula C16H36O8 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
PubChem CID158203924
Molecular FormulaC16H36O8
Molecular Weight356.46 g/mol
Exact Mass356.24
IUPAC Name2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCOCCO.CCOC(C)=O.OCCOCCO
InChIInChI=1S/C8H18O3.C4H10O3.C4H8O2/c1-2-3-5-10-7-8-11-6-4-9;5-1-3-7-4-2-6;1-3-6-4(2)5/h9H,2-8H2,1H3;5-6H,1-4H2;3H2,1-2H3
InChIKeyGBGOEFCBALWARD-UHFFFAOYSA-N
XLogP0.37
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
butyl acetate;2-ethoxyethanol
CID 87069038
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-ethoxyethanol;ethyl acetate
CID 22463789
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
CID 174793686
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol (CID 158203924) is 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol is CCCCOCCOCCO.CCOC(C)=O.OCCOCCO.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is GBGOEFCBALWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C4H10O3.C4H8O2/c1-2-3-5-10-7-8-11-6-4-9;5-1-3-7-4-2-6;1-3-6-4(2)5/h9H,2-8H2,1H3;5-6H,1-4H2;3H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol?
2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 356.46 g/mol, XLogP of 0.37, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 158203924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).