3,3-dibutyloxetane

C11H22O — CID 529231

IUPAC3,3-dibutyloxetane
SMILESCCCCC1(CCCC)COC1
InChIInChI=1S/C11H22O/c1-3-5-7-11(8-6-4-2)9-12-10-11/h3-10H2,1-2H3
InChIKeyISNIPFKDIOZFHP-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds6

About 3,3-dibutyloxetane

3,3-dibutyloxetane (PubChem CID 529231) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dibutyloxetane.

Molecular Properties

Compound Name3,3-dibutyloxetane
PubChem CID529231
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,3-dibutyloxetane
SMILESCCCCC1(CCCC)COC1
InChIInChI=1S/C11H22O/c1-3-5-7-11(8-6-4-2)9-12-10-11/h3-10H2,1-2H3
InChIKeyISNIPFKDIOZFHP-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibutyloxetane?
The IUPAC name of 3,3-dibutyloxetane (CID 529231) is 3,3-dibutyloxetane.
What is the SMILES notation for 3,3-dibutyloxetane?
The canonical SMILES for 3,3-dibutyloxetane is CCCCC1(CCCC)COC1.
What is the InChIKey of 3,3-dibutyloxetane?
The InChIKey is ISNIPFKDIOZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-7-11(8-6-4-2)9-12-10-11/h3-10H2,1-2H3.
What are the key properties of 3,3-dibutyloxetane?
3,3-dibutyloxetane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutyloxetane is sourced from PubChem (CID 529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).