3,3-di(propan-2-yl)oxetane

C9H18O — CID 21452222

IUPAC3,3-di(propan-2-yl)oxetane
SMILESCC(C)C1(C(C)C)COC1
InChIInChI=1S/C9H18O/c1-7(2)9(8(3)4)5-10-6-9/h7-8H,5-6H2,1-4H3
InChIKeyOTQUESXMNFUEGA-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.32
Rot. Bonds2

About 3,3-di(propan-2-yl)oxetane

3,3-di(propan-2-yl)oxetane (PubChem CID 21452222) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)oxetane.

Molecular Properties

Compound Name3,3-di(propan-2-yl)oxetane
PubChem CID21452222
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-di(propan-2-yl)oxetane
SMILESCC(C)C1(C(C)C)COC1
InChIInChI=1S/C9H18O/c1-7(2)9(8(3)4)5-10-6-9/h7-8H,5-6H2,1-4H3
InChIKeyOTQUESXMNFUEGA-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)oxetane?
The IUPAC name of 3,3-di(propan-2-yl)oxetane (CID 21452222) is 3,3-di(propan-2-yl)oxetane.
What is the SMILES notation for 3,3-di(propan-2-yl)oxetane?
The canonical SMILES for 3,3-di(propan-2-yl)oxetane is CC(C)C1(C(C)C)COC1.
What is the InChIKey of 3,3-di(propan-2-yl)oxetane?
The InChIKey is OTQUESXMNFUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)9(8(3)4)5-10-6-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)oxetane?
3,3-di(propan-2-yl)oxetane has a molecular weight of 142.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)oxetane is sourced from PubChem (CID 21452222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).