2,2-dipropyloxetane

C9H18O — CID 14242105

IUPAC2,2-dipropyloxetane
SMILESCCCC1(CCC)CCO1
InChIInChI=1S/C9H18O/c1-3-5-9(6-4-2)7-8-10-9/h3-8H2,1-2H3
InChIKeyKJAPNJYWGRJXEC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds4

About 2,2-dipropyloxetane

2,2-dipropyloxetane (PubChem CID 14242105) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,2-dipropyloxetane.

Molecular Properties

Compound Name2,2-dipropyloxetane
PubChem CID14242105
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,2-dipropyloxetane
SMILESCCCC1(CCC)CCO1
InChIInChI=1S/C9H18O/c1-3-5-9(6-4-2)7-8-10-9/h3-8H2,1-2H3
InChIKeyKJAPNJYWGRJXEC-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dipropyloxetane?
The IUPAC name of 2,2-dipropyloxetane (CID 14242105) is 2,2-dipropyloxetane.
What is the SMILES notation for 2,2-dipropyloxetane?
The canonical SMILES for 2,2-dipropyloxetane is CCCC1(CCC)CCO1.
What is the InChIKey of 2,2-dipropyloxetane?
The InChIKey is KJAPNJYWGRJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-9(6-4-2)7-8-10-9/h3-8H2,1-2H3.
What are the key properties of 2,2-dipropyloxetane?
2,2-dipropyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropyloxetane is sourced from PubChem (CID 14242105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).