2,2-dibutyl-4-methoxyoxolane

C13H26O2 — CID 51358010

IUPAC2,2-dibutyl-4-methoxyoxolane
SMILESCCCCC1(CCCC)CC(OC)CO1
InChIInChI=1S/C13H26O2/c1-4-6-8-13(9-7-5-2)10-12(14-3)11-15-13/h12H,4-11H2,1-3H3
InChIKeyAHUFQFCDZHBXJJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.54
Rot. Bonds7

About 2,2-dibutyl-4-methoxyoxolane

2,2-dibutyl-4-methoxyoxolane (PubChem CID 51358010) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,2-dibutyl-4-methoxyoxolane.

Molecular Properties

Compound Name2,2-dibutyl-4-methoxyoxolane
PubChem CID51358010
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2,2-dibutyl-4-methoxyoxolane
SMILESCCCCC1(CCCC)CC(OC)CO1
InChIInChI=1S/C13H26O2/c1-4-6-8-13(9-7-5-2)10-12(14-3)11-15-13/h12H,4-11H2,1-3H3
InChIKeyAHUFQFCDZHBXJJ-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4-methoxyoxolane?
The IUPAC name of 2,2-dibutyl-4-methoxyoxolane (CID 51358010) is 2,2-dibutyl-4-methoxyoxolane.
What is the SMILES notation for 2,2-dibutyl-4-methoxyoxolane?
The canonical SMILES for 2,2-dibutyl-4-methoxyoxolane is CCCCC1(CCCC)CC(OC)CO1.
What is the InChIKey of 2,2-dibutyl-4-methoxyoxolane?
The InChIKey is AHUFQFCDZHBXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-8-13(9-7-5-2)10-12(14-3)11-15-13/h12H,4-11H2,1-3H3.
What are the key properties of 2,2-dibutyl-4-methoxyoxolane?
2,2-dibutyl-4-methoxyoxolane has a molecular weight of 214.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4-methoxyoxolane is sourced from PubChem (CID 51358010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).