3-butyl-3-ethyl-2-propyloxetane

C12H24O — CID 23514638

IUPAC3-butyl-3-ethyl-2-propyloxetane
SMILESCCCCC1(CC)COC1CCC
InChIInChI=1S/C12H24O/c1-4-7-9-12(6-3)10-13-11(12)8-5-2/h11H,4-10H2,1-3H3
InChIKeyHNWSDNJRAMIDTB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds6

About 3-butyl-3-ethyl-2-propyloxetane

3-butyl-3-ethyl-2-propyloxetane (PubChem CID 23514638) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-butyl-3-ethyl-2-propyloxetane.

Molecular Properties

Compound Name3-butyl-3-ethyl-2-propyloxetane
PubChem CID23514638
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-butyl-3-ethyl-2-propyloxetane
SMILESCCCCC1(CC)COC1CCC
InChIInChI=1S/C12H24O/c1-4-7-9-12(6-3)10-13-11(12)8-5-2/h11H,4-10H2,1-3H3
InChIKeyHNWSDNJRAMIDTB-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-ethyl-2-propyloxetane?
The IUPAC name of 3-butyl-3-ethyl-2-propyloxetane (CID 23514638) is 3-butyl-3-ethyl-2-propyloxetane.
What is the SMILES notation for 3-butyl-3-ethyl-2-propyloxetane?
The canonical SMILES for 3-butyl-3-ethyl-2-propyloxetane is CCCCC1(CC)COC1CCC.
What is the InChIKey of 3-butyl-3-ethyl-2-propyloxetane?
The InChIKey is HNWSDNJRAMIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-9-12(6-3)10-13-11(12)8-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 3-butyl-3-ethyl-2-propyloxetane?
3-butyl-3-ethyl-2-propyloxetane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-ethyl-2-propyloxetane is sourced from PubChem (CID 23514638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).