1-[2-(2-methylpropoxy)propoxy]butane

C11H24O2 — CID 58983398

IUPAC1-[2-(2-methylpropoxy)propoxy]butane
SMILESCCCCOCC(C)OCC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-7-12-9-11(4)13-8-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyCLPDVACIOPXYAT-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.86
Rot. Bonds8

About 1-[2-(2-methylpropoxy)propoxy]butane

1-[2-(2-methylpropoxy)propoxy]butane (PubChem CID 58983398) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)propoxy]butane.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)propoxy]butane
PubChem CID58983398
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-[2-(2-methylpropoxy)propoxy]butane
SMILESCCCCOCC(C)OCC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-7-12-9-11(4)13-8-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyCLPDVACIOPXYAT-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)propoxy]butane?
The IUPAC name of 1-[2-(2-methylpropoxy)propoxy]butane (CID 58983398) is 1-[2-(2-methylpropoxy)propoxy]butane.
What is the SMILES notation for 1-[2-(2-methylpropoxy)propoxy]butane?
The canonical SMILES for 1-[2-(2-methylpropoxy)propoxy]butane is CCCCOCC(C)OCC(C)C.
What is the InChIKey of 1-[2-(2-methylpropoxy)propoxy]butane?
The InChIKey is CLPDVACIOPXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-7-12-9-11(4)13-8-10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[2-(2-methylpropoxy)propoxy]butane?
1-[2-(2-methylpropoxy)propoxy]butane has a molecular weight of 188.31 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)propoxy]butane is sourced from PubChem (CID 58983398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).