butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane

C25H60O4 — CID 157217369

IUPACbutane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
SMILESCCC(C)C.CCCC.CCCOC.COCC(C)C.COCCOCC(C)C
InChIInChI=1S/C7H16O2.C5H12O.C5H12.C4H10O.C4H10/c1-7(2)6-9-5-4-8-3;1-5(2)4-6-3;1-4-5(2)3;1-3-4-5-2;1-3-4-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyASOPBBKEDRUQEW-UHFFFAOYSA-N
MW424.75 g/mol
LogP7.50
Rot. Bonds11

About butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane

butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane (PubChem CID 157217369) has the molecular formula C25H60O4 and a molecular weight of 424.75 g/mol. Its IUPAC name is butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane.

Molecular Properties

Compound Namebutane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
PubChem CID157217369
Molecular FormulaC25H60O4
Molecular Weight424.75 g/mol
Exact Mass424.45
IUPAC Namebutane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
SMILESCCC(C)C.CCCC.CCCOC.COCC(C)C.COCCOCC(C)C
InChIInChI=1S/C7H16O2.C5H12O.C5H12.C4H10O.C4H10/c1-7(2)6-9-5-4-8-3;1-5(2)4-6-3;1-4-5(2)3;1-3-4-5-2;1-3-4-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyASOPBBKEDRUQEW-UHFFFAOYSA-N
XLogP7.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106991798
1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
CID 157087809
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854

Frequently Asked Questions

What is the IUPAC name of butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane?
The IUPAC name of butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane (CID 157217369) is butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane.
What is the SMILES notation for butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane?
The canonical SMILES for butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane is CCC(C)C.CCCC.CCCOC.COCC(C)C.COCCOCC(C)C.
What is the InChIKey of butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane?
The InChIKey is ASOPBBKEDRUQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C5H12O.C5H12.C4H10O.C4H10/c1-7(2)6-9-5-4-8-3;1-5(2)4-6-3;1-4-5(2)3;1-3-4-5-2;1-3-4-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane?
butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane has a molecular weight of 424.75 g/mol, XLogP of 7.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane is sourced from PubChem (CID 157217369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).