2-butyloxolane

C8H16O — CID 13861

IUPAC2-butyloxolane
SMILESCCCCC1CCCO1
InChIInChI=1S/C8H16O/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3
InChIKeyGBOMEIMCQWMHGB-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds3

About 2-butyloxolane

2-butyloxolane (PubChem CID 13861) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-butyloxolane.

Molecular Properties

Compound Name2-butyloxolane
PubChem CID13861
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-butyloxolane
SMILESCCCCC1CCCO1
InChIInChI=1S/C8H16O/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3
InChIKeyGBOMEIMCQWMHGB-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyloxolane?
The IUPAC name of 2-butyloxolane (CID 13861) is 2-butyloxolane.
What is the SMILES notation for 2-butyloxolane?
The canonical SMILES for 2-butyloxolane is CCCCC1CCCO1.
What is the InChIKey of 2-butyloxolane?
The InChIKey is GBOMEIMCQWMHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3.
What are the key properties of 2-butyloxolane?
2-butyloxolane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxolane is sourced from PubChem (CID 13861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).