1-(2-butoxyethoxy)butane;2-methoxyethyl acetate

C15H32O5 — CID 90456855

IUPAC1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
SMILESCCCCOCCOCCCC.COCCOC(C)=O
InChIInChI=1S/C10H22O2.C5H10O3/c1-3-5-7-11-9-10-12-8-6-4-2;1-5(6)8-4-3-7-2/h3-10H2,1-2H3;3-4H2,1-2H3
InChIKeyVHRYXTMIFPTMFR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds12

About 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate

1-(2-butoxyethoxy)butane;2-methoxyethyl acetate (PubChem CID 90456855) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate.

Molecular Properties

Compound Name1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
PubChem CID90456855
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
SMILESCCCCOCCOCCCC.COCCOC(C)=O
InChIInChI=1S/C10H22O2.C5H10O3/c1-3-5-7-11-9-10-12-8-6-4-2;1-5(6)8-4-3-7-2/h3-10H2,1-2H3;3-4H2,1-2H3
InChIKeyVHRYXTMIFPTMFR-UHFFFAOYSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
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)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl acetate;propyl acetate
CID 19764185
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
2-(2-decoxyethoxy)ethyl acetate
CID 526732
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
CID 174793686
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate?
The IUPAC name of 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate (CID 90456855) is 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate.
What is the SMILES notation for 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate?
The canonical SMILES for 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate is CCCCOCCOCCCC.COCCOC(C)=O.
What is the InChIKey of 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate?
The InChIKey is VHRYXTMIFPTMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C5H10O3/c1-3-5-7-11-9-10-12-8-6-4-2;1-5(6)8-4-3-7-2/h3-10H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate?
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate has a molecular weight of 292.42 g/mol, XLogP of 2.82, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)butane;2-methoxyethyl acetate is sourced from PubChem (CID 90456855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).