2-(1-butan-2-yloxyethoxy)butane

C10H22O2 — CID 521444

IUPAC2-(1-butan-2-yloxyethoxy)butane
SMILESCCC(C)OC(C)OC(C)CC
InChIInChI=1S/C10H22O2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-10H,6-7H2,1-5H3
InChIKeyCUOLYDYUVYAZFH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.96
Rot. Bonds6

About 2-(1-butan-2-yloxyethoxy)butane

2-(1-butan-2-yloxyethoxy)butane (PubChem CID 521444) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-(1-butan-2-yloxyethoxy)butane.

Molecular Properties

Compound Name2-(1-butan-2-yloxyethoxy)butane
PubChem CID521444
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-(1-butan-2-yloxyethoxy)butane
SMILESCCC(C)OC(C)OC(C)CC
InChIInChI=1S/C10H22O2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-10H,6-7H2,1-5H3
InChIKeyCUOLYDYUVYAZFH-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yloxyethoxy)butane?
The IUPAC name of 2-(1-butan-2-yloxyethoxy)butane (CID 521444) is 2-(1-butan-2-yloxyethoxy)butane.
What is the SMILES notation for 2-(1-butan-2-yloxyethoxy)butane?
The canonical SMILES for 2-(1-butan-2-yloxyethoxy)butane is CCC(C)OC(C)OC(C)CC.
What is the InChIKey of 2-(1-butan-2-yloxyethoxy)butane?
The InChIKey is CUOLYDYUVYAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-(1-butan-2-yloxyethoxy)butane?
2-(1-butan-2-yloxyethoxy)butane has a molecular weight of 174.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yloxyethoxy)butane is sourced from PubChem (CID 521444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).