3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane

C11H24O2 — CID 90326526

IUPAC3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
SMILESCC(C)CCOCCOCC(C)C
InChIInChI=1S/C11H24O2/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyXLIFQVWCLCVOPK-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.72
Rot. Bonds8

About 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane

3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane (PubChem CID 90326526) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
PubChem CID90326526
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
SMILESCC(C)CCOCCOCC(C)C
InChIInChI=1S/C11H24O2/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyXLIFQVWCLCVOPK-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
CID 142623254
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
3-[2-(2-methylpropoxy)ethoxy]propanenitrile
CID 106447606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane?
The IUPAC name of 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane (CID 90326526) is 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane?
The canonical SMILES for 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane is CC(C)CCOCCOCC(C)C.
What is the InChIKey of 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane?
The InChIKey is XLIFQVWCLCVOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane?
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane has a molecular weight of 188.31 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane is sourced from PubChem (CID 90326526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).