2-(2-butoxyethoxy)ethanol;pentyl acetate

C15H32O5 — CID 159514789

IUPAC2-(2-butoxyethoxy)ethanol;pentyl acetate
SMILESCCCCCOC(C)=O.CCCCOCCOCCO
InChIInChI=1S/C8H18O3.C7H14O2/c1-2-3-5-10-7-8-11-6-4-9;1-3-4-5-6-9-7(2)8/h9H,2-8H2,1H3;3-6H2,1-2H3
InChIKeyMBAXJHVTNGBISL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.55
Rot. Bonds12

About 2-(2-butoxyethoxy)ethanol;pentyl acetate

2-(2-butoxyethoxy)ethanol;pentyl acetate (PubChem CID 159514789) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;pentyl acetate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;pentyl acetate
PubChem CID159514789
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2-butoxyethoxy)ethanol;pentyl acetate
SMILESCCCCCOC(C)=O.CCCCOCCOCCO
InChIInChI=1S/C8H18O3.C7H14O2/c1-2-3-5-10-7-8-11-6-4-9;1-3-4-5-6-9-7(2)8/h9H,2-8H2,1H3;3-6H2,1-2H3
InChIKeyMBAXJHVTNGBISL-UHFFFAOYSA-N
XLogP2.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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;ethyl acetate;2-(2-hydroxyethoxy)ethanol
CID 158203924
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
butyl acetate;2-ethoxyethanol
CID 87069038
1-butoxybutane;butyl acetate;ethane-1,2-diol;ethene
CID 173134193
2-(2-decoxyethoxy)ethyl acetate
CID 526732
3-octoxypropyl acetate
CID 21272964
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
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;pentyl acetate?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;pentyl acetate (CID 159514789) is 2-(2-butoxyethoxy)ethanol;pentyl acetate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;pentyl acetate?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;pentyl acetate is CCCCCOC(C)=O.CCCCOCCOCCO.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;pentyl acetate?
The InChIKey is MBAXJHVTNGBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C7H14O2/c1-2-3-5-10-7-8-11-6-4-9;1-3-4-5-6-9-7(2)8/h9H,2-8H2,1H3;3-6H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;pentyl acetate?
2-(2-butoxyethoxy)ethanol;pentyl acetate has a molecular weight of 292.42 g/mol, XLogP of 2.55, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;pentyl acetate is sourced from PubChem (CID 159514789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).