butyl acetate;2-ethoxyethanol

C10H22O4 — CID 87069038

IUPACbutyl acetate;2-ethoxyethanol
SMILESCCCCOC(C)=O.CCOCCO
InChIInChI=1S/C6H12O2.C4H10O2/c1-3-4-5-8-6(2)7;1-2-6-4-3-5/h3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyGZEVZDXQLUUEDB-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.36
Rot. Bonds6

About butyl acetate;2-ethoxyethanol

butyl acetate;2-ethoxyethanol (PubChem CID 87069038) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is butyl acetate;2-ethoxyethanol.

Molecular Properties

Compound Namebutyl acetate;2-ethoxyethanol
PubChem CID87069038
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Namebutyl acetate;2-ethoxyethanol
SMILESCCCCOC(C)=O.CCOCCO
InChIInChI=1S/C6H12O2.C4H10O2/c1-3-4-5-8-6(2)7;1-2-6-4-3-5/h3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyGZEVZDXQLUUEDB-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
butane-1,4-diol;butyl acetate
CID 87703873
2-ethoxyethanol;ethyl acetate
CID 22463789
2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
CID 158203924
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
CID 173341156
3-ethoxypropyl acetate
CID 14847874
CID 159328585
CID 159328585
CID 159701402
CID 159701402
CID 87429945
CID 87429945

Frequently Asked Questions

What is the IUPAC name of butyl acetate;2-ethoxyethanol?
The IUPAC name of butyl acetate;2-ethoxyethanol (CID 87069038) is butyl acetate;2-ethoxyethanol.
What is the SMILES notation for butyl acetate;2-ethoxyethanol?
The canonical SMILES for butyl acetate;2-ethoxyethanol is CCCCOC(C)=O.CCOCCO.
What is the InChIKey of butyl acetate;2-ethoxyethanol?
The InChIKey is GZEVZDXQLUUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10O2/c1-3-4-5-8-6(2)7;1-2-6-4-3-5/h3-5H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butyl acetate;2-ethoxyethanol?
butyl acetate;2-ethoxyethanol has a molecular weight of 206.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;2-ethoxyethanol is sourced from PubChem (CID 87069038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).