2-butoxy-4-butyloxolane

C12H24O2 — CID 12794833

IUPAC2-butoxy-4-butyloxolane
SMILESCCCCOC1CC(CCCC)CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyZKMDWYZWEPIAJH-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds7

About 2-butoxy-4-butyloxolane

2-butoxy-4-butyloxolane (PubChem CID 12794833) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-butoxy-4-butyloxolane.

Molecular Properties

Compound Name2-butoxy-4-butyloxolane
PubChem CID12794833
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-butoxy-4-butyloxolane
SMILESCCCCOC1CC(CCCC)CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyZKMDWYZWEPIAJH-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
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 2-butoxy-4-butyloxolane?
The IUPAC name of 2-butoxy-4-butyloxolane (CID 12794833) is 2-butoxy-4-butyloxolane.
What is the SMILES notation for 2-butoxy-4-butyloxolane?
The canonical SMILES for 2-butoxy-4-butyloxolane is CCCCOC1CC(CCCC)CO1.
What is the InChIKey of 2-butoxy-4-butyloxolane?
The InChIKey is ZKMDWYZWEPIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-butoxy-4-butyloxolane?
2-butoxy-4-butyloxolane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-butyloxolane is sourced from PubChem (CID 12794833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).