2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol

C17H38O8 — CID 174793686

IUPAC2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
SMILESCCCCOCCOCCO.COCC(C)O.COCCOC(C)=O
InChIInChI=1S/C8H18O3.C5H10O3.C4H10O2/c1-2-3-5-10-7-8-11-6-4-9;1-5(6)8-4-3-7-2;1-4(5)3-6-2/h9H,2-8H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyVWJGHGXQNYDIRB-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.02
Rot. Bonds13

About 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol

2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol (PubChem CID 174793686) has the molecular formula C17H38O8 and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
PubChem CID174793686
Molecular FormulaC17H38O8
Molecular Weight370.48 g/mol
Exact Mass370.26
IUPAC Name2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
SMILESCCCCOCCOCCO.COCC(C)O.COCCOC(C)=O
InChIInChI=1S/C8H18O3.C5H10O3.C4H10O2/c1-2-3-5-10-7-8-11-6-4-9;1-5(6)8-4-3-7-2;1-4(5)3-6-2/h9H,2-8H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyVWJGHGXQNYDIRB-UHFFFAOYSA-N
XLogP1.02
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
CID 158203924
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
2-butoxyethyl acetate;propyl acetate
CID 19764185

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol (CID 174793686) is 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol is CCCCOCCOCCO.COCC(C)O.COCCOC(C)=O.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol?
The InChIKey is VWJGHGXQNYDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C5H10O3.C4H10O2/c1-2-3-5-10-7-8-11-6-4-9;1-5(6)8-4-3-7-2;1-4(5)3-6-2/h9H,2-8H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol?
2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol has a molecular weight of 370.48 g/mol, XLogP of 1.02, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol is sourced from PubChem (CID 174793686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).