2-butyl-2-hexyloxetane

C13H26O — CID 19381987

IUPAC2-butyl-2-hexyloxetane
SMILESCCCCCCC1(CCCC)CCO1
InChIInChI=1S/C13H26O/c1-3-5-7-8-10-13(9-6-4-2)11-12-14-13/h3-12H2,1-2H3
InChIKeyUKUSKKFPXXAHDC-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds8

About 2-butyl-2-hexyloxetane

2-butyl-2-hexyloxetane (PubChem CID 19381987) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-butyl-2-hexyloxetane.

Molecular Properties

Compound Name2-butyl-2-hexyloxetane
PubChem CID19381987
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-butyl-2-hexyloxetane
SMILESCCCCCCC1(CCCC)CCO1
InChIInChI=1S/C13H26O/c1-3-5-7-8-10-13(9-6-4-2)11-12-14-13/h3-12H2,1-2H3
InChIKeyUKUSKKFPXXAHDC-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butyl-2-hexyloxetane?
The IUPAC name of 2-butyl-2-hexyloxetane (CID 19381987) is 2-butyl-2-hexyloxetane.
What is the SMILES notation for 2-butyl-2-hexyloxetane?
The canonical SMILES for 2-butyl-2-hexyloxetane is CCCCCCC1(CCCC)CCO1.
What is the InChIKey of 2-butyl-2-hexyloxetane?
The InChIKey is UKUSKKFPXXAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-7-8-10-13(9-6-4-2)11-12-14-13/h3-12H2,1-2H3.
What are the key properties of 2-butyl-2-hexyloxetane?
2-butyl-2-hexyloxetane has a molecular weight of 198.35 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-hexyloxetane is sourced from PubChem (CID 19381987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).