3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane

C10H20O2 — CID 171454077

IUPAC3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane
SMILESCC(C)(C)OCCCC1COC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-6-4-5-9-7-11-8-9/h9H,4-8H2,1-3H3
InChIKeyUFMJBQMOOJTIIC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane

3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane (PubChem CID 171454077) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane.

Molecular Properties

Compound Name3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane
PubChem CID171454077
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane
SMILESCC(C)(C)OCCCC1COC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-6-4-5-9-7-11-8-9/h9H,4-8H2,1-3H3
InChIKeyUFMJBQMOOJTIIC-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane?
The IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane (CID 171454077) is 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane.
What is the SMILES notation for 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane?
The canonical SMILES for 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane is CC(C)(C)OCCCC1COC1.
What is the InChIKey of 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane?
The InChIKey is UFMJBQMOOJTIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)12-6-4-5-9-7-11-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane?
3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetane is sourced from PubChem (CID 171454077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).