1-(1-butoxyethoxy)-2-methylbutane

C11H24O2 — CID 90476041

IUPAC1-(1-butoxyethoxy)-2-methylbutane
SMILESCCCCOC(C)OCC(C)CC
InChIInChI=1S/C11H24O2/c1-5-7-8-12-11(4)13-9-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyUPUIOCMCBHVAFP-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.21
Rot. Bonds8

About 1-(1-butoxyethoxy)-2-methylbutane

1-(1-butoxyethoxy)-2-methylbutane (PubChem CID 90476041) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(1-butoxyethoxy)-2-methylbutane.

Molecular Properties

Compound Name1-(1-butoxyethoxy)-2-methylbutane
PubChem CID90476041
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(1-butoxyethoxy)-2-methylbutane
SMILESCCCCOC(C)OCC(C)CC
InChIInChI=1S/C11H24O2/c1-5-7-8-12-11(4)13-9-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyUPUIOCMCBHVAFP-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-butoxyethoxy)-2-methylbutane?
The IUPAC name of 1-(1-butoxyethoxy)-2-methylbutane (CID 90476041) is 1-(1-butoxyethoxy)-2-methylbutane.
What is the SMILES notation for 1-(1-butoxyethoxy)-2-methylbutane?
The canonical SMILES for 1-(1-butoxyethoxy)-2-methylbutane is CCCCOC(C)OCC(C)CC.
What is the InChIKey of 1-(1-butoxyethoxy)-2-methylbutane?
The InChIKey is UPUIOCMCBHVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-8-12-11(4)13-9-10(3)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1-butoxyethoxy)-2-methylbutane?
1-(1-butoxyethoxy)-2-methylbutane has a molecular weight of 188.31 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethoxy)-2-methylbutane is sourced from PubChem (CID 90476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).