butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol

C14H32O6 — CID 87066406

IUPACbutyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(C)=O.CCOCC.OCCOCCO
InChIInChI=1S/C6H12O2.C4H10O3.C4H10O/c1-3-4-5-8-6(2)7;5-1-3-7-4-2-6;1-3-5-4-2/h3-5H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyLQMVCSSEEZQPGX-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.38
Rot. Bonds9

About butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol

butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol (PubChem CID 87066406) has the molecular formula C14H32O6 and a molecular weight of 296.40 g/mol. Its IUPAC name is butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebutyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
PubChem CID87066406
Molecular FormulaC14H32O6
Molecular Weight296.40 g/mol
Exact Mass296.22
IUPAC Namebutyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(C)=O.CCOCC.OCCOCCO
InChIInChI=1S/C6H12O2.C4H10O3.C4H10O/c1-3-4-5-8-6(2)7;5-1-3-7-4-2-6;1-3-5-4-2/h3-5H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyLQMVCSSEEZQPGX-UHFFFAOYSA-N
XLogP1.38
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
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
1-butoxybutane;butyl acetate;ethane-1,2-diol;ethene
CID 173134193
butane-1,4-diol;butyl acetate
CID 87703873
ethane-1,2-diol;ethoxyethane;propyl acetate
CID 87069783
CID 159328585
CID 159328585
CID 87429945
CID 87429945
CID 159701402
CID 159701402

Frequently Asked Questions

What is the IUPAC name of butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol (CID 87066406) is butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol is CCCCOC(C)=O.CCOCC.OCCOCCO.
What is the InChIKey of butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol?
The InChIKey is LQMVCSSEEZQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10O3.C4H10O/c1-3-4-5-8-6(2)7;5-1-3-7-4-2-6;1-3-5-4-2/h3-5H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3.
What are the key properties of butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol?
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol has a molecular weight of 296.40 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87066406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).