1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane

C11H24O2 — CID 19963990

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane
SMILESCCCCOC(CC)OC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-8-9-12-10(7-2)13-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyUCKHYCWEHHEIRQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.35
Rot. Bonds6

About 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane

1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane (PubChem CID 19963990) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane
PubChem CID19963990
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane
SMILESCCCCOC(CC)OC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-8-9-12-10(7-2)13-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyUCKHYCWEHHEIRQ-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane (CID 19963990) is 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane is CCCCOC(CC)OC(C)(C)C.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane?
The InChIKey is UCKHYCWEHHEIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-8-9-12-10(7-2)13-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane?
1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane has a molecular weight of 188.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]propoxy]butane is sourced from PubChem (CID 19963990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).