5-butoxy-2,2,3-trimethyloxolane

C11H22O2 — CID 12007913

IUPAC5-butoxy-2,2,3-trimethyloxolane
SMILESCCCCOC1CC(C)C(C)(C)O1
InChIInChI=1S/C11H22O2/c1-5-6-7-12-10-8-9(2)11(3,4)13-10/h9-10H,5-8H2,1-4H3
InChIKeyFTFATMVRBWBYLX-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds4

About 5-butoxy-2,2,3-trimethyloxolane

5-butoxy-2,2,3-trimethyloxolane (PubChem CID 12007913) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-butoxy-2,2,3-trimethyloxolane.

Molecular Properties

Compound Name5-butoxy-2,2,3-trimethyloxolane
PubChem CID12007913
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-butoxy-2,2,3-trimethyloxolane
SMILESCCCCOC1CC(C)C(C)(C)O1
InChIInChI=1S/C11H22O2/c1-5-6-7-12-10-8-9(2)11(3,4)13-10/h9-10H,5-8H2,1-4H3
InChIKeyFTFATMVRBWBYLX-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
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 5-butoxy-2,2,3-trimethyloxolane?
The IUPAC name of 5-butoxy-2,2,3-trimethyloxolane (CID 12007913) is 5-butoxy-2,2,3-trimethyloxolane.
What is the SMILES notation for 5-butoxy-2,2,3-trimethyloxolane?
The canonical SMILES for 5-butoxy-2,2,3-trimethyloxolane is CCCCOC1CC(C)C(C)(C)O1.
What is the InChIKey of 5-butoxy-2,2,3-trimethyloxolane?
The InChIKey is FTFATMVRBWBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-7-12-10-8-9(2)11(3,4)13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-butoxy-2,2,3-trimethyloxolane?
5-butoxy-2,2,3-trimethyloxolane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2,2,3-trimethyloxolane is sourced from PubChem (CID 12007913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).