butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

C12H26O5 — CID 161208459

IUPACbutan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCCC(C)=O.COCCOCCOCCOC
InChIInChI=1S/C8H18O4.C4H8O/c1-9-3-5-11-7-8-12-6-4-10-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3
InChIKeyUVXMLDOUTPTUMK-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.30
Rot. Bonds10

About butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (PubChem CID 161208459) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Namebutan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
PubChem CID161208459
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Namebutan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCCC(C)=O.COCCOCCOCCOC
InChIInChI=1S/C8H18O4.C4H8O/c1-9-3-5-11-7-8-12-6-4-10-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3
InChIKeyUVXMLDOUTPTUMK-UHFFFAOYSA-N
XLogP1.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.30
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

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
butan-2-one;methoxyethane;propane
CID 158787439
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772

Frequently Asked Questions

What is the IUPAC name of butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The IUPAC name of butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (CID 161208459) is butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.
What is the SMILES notation for butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The canonical SMILES for butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is CCC(C)=O.COCCOCCOCCOC.
What is the InChIKey of butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The InChIKey is UVXMLDOUTPTUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.C4H8O/c1-9-3-5-11-7-8-12-6-4-10-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane has a molecular weight of 250.33 g/mol, XLogP of 1.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 161208459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).