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

C16H34O7 — CID 161493790

IUPAC2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
SMILESCCCCOCCOCCO.CCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4.C8H18O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-2-3-5-10-7-8-11-6-4-9/h3-7H2,1-2H3;9H,2-8H2,1H3
InChIKeyWFYCBGWTNFUTME-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.41
Rot. Bonds15

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

2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate (PubChem CID 161493790) has the molecular formula C16H34O7 and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
PubChem CID161493790
Molecular FormulaC16H34O7
Molecular Weight338.44 g/mol
Exact Mass338.23
IUPAC Name2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
SMILESCCCCOCCOCCO.CCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4.C8H18O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-2-3-5-10-7-8-11-6-4-9/h3-7H2,1-2H3;9H,2-8H2,1H3
InChIKeyWFYCBGWTNFUTME-UHFFFAOYSA-N
XLogP1.41
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl acetate;2-ethoxyethanol
CID 87069038
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
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-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl acetate;propyl acetate
CID 19764185

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate (CID 161493790) is 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate is CCCCOCCOCCO.CCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate?
The InChIKey is WFYCBGWTNFUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.C8H18O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-2-3-5-10-7-8-11-6-4-9/h3-7H2,1-2H3;9H,2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate?
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate has a molecular weight of 338.44 g/mol, XLogP of 1.41, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate is sourced from PubChem (CID 161493790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).