3-butyloxetane;3-ethyloxetan-3-ol;methane

C13H28O3 — CID 174843893

IUPAC3-butyloxetane;3-ethyloxetan-3-ol;methane
SMILESC.CCC1(O)COC1.CCCCC1COC1
InChIInChI=1S/C7H14O.C5H10O2.CH4/c1-2-3-4-7-5-8-6-7;1-2-5(6)3-7-4-5;/h7H,2-6H2,1H3;6H,2-4H2,1H3;1H4
InChIKeyBIZSUSGPSKJXCC-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.62
Rot. Bonds4

About 3-butyloxetane;3-ethyloxetan-3-ol;methane

3-butyloxetane;3-ethyloxetan-3-ol;methane (PubChem CID 174843893) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 3-butyloxetane;3-ethyloxetan-3-ol;methane.

Molecular Properties

Compound Name3-butyloxetane;3-ethyloxetan-3-ol;methane
PubChem CID174843893
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name3-butyloxetane;3-ethyloxetan-3-ol;methane
SMILESC.CCC1(O)COC1.CCCCC1COC1
InChIInChI=1S/C7H14O.C5H10O2.CH4/c1-2-3-4-7-5-8-6-7;1-2-5(6)3-7-4-5;/h7H,2-6H2,1H3;6H,2-4H2,1H3;1H4
InChIKeyBIZSUSGPSKJXCC-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyloxetane;3-ethyloxetan-3-ol;methane?
The IUPAC name of 3-butyloxetane;3-ethyloxetan-3-ol;methane (CID 174843893) is 3-butyloxetane;3-ethyloxetan-3-ol;methane.
What is the SMILES notation for 3-butyloxetane;3-ethyloxetan-3-ol;methane?
The canonical SMILES for 3-butyloxetane;3-ethyloxetan-3-ol;methane is C.CCC1(O)COC1.CCCCC1COC1.
What is the InChIKey of 3-butyloxetane;3-ethyloxetan-3-ol;methane?
The InChIKey is BIZSUSGPSKJXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H10O2.CH4/c1-2-3-4-7-5-8-6-7;1-2-5(6)3-7-4-5;/h7H,2-6H2,1H3;6H,2-4H2,1H3;1H4.
What are the key properties of 3-butyloxetane;3-ethyloxetan-3-ol;methane?
3-butyloxetane;3-ethyloxetan-3-ol;methane has a molecular weight of 232.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyloxetane;3-ethyloxetan-3-ol;methane is sourced from PubChem (CID 174843893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).