3-methyl-3-pentyloxetane

C9H18O — CID 22098118

IUPAC3-methyl-3-pentyloxetane
SMILESCCCCCC1(C)COC1
InChIInChI=1S/C9H18O/c1-3-4-5-6-9(2)7-10-8-9/h3-8H2,1-2H3
InChIKeyIYTKEFZTCWJLGB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds4

About 3-methyl-3-pentyloxetane

3-methyl-3-pentyloxetane (PubChem CID 22098118) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methyl-3-pentyloxetane.

Molecular Properties

Compound Name3-methyl-3-pentyloxetane
PubChem CID22098118
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methyl-3-pentyloxetane
SMILESCCCCCC1(C)COC1
InChIInChI=1S/C9H18O/c1-3-4-5-6-9(2)7-10-8-9/h3-8H2,1-2H3
InChIKeyIYTKEFZTCWJLGB-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-3-pentyloxetane?
The IUPAC name of 3-methyl-3-pentyloxetane (CID 22098118) is 3-methyl-3-pentyloxetane.
What is the SMILES notation for 3-methyl-3-pentyloxetane?
The canonical SMILES for 3-methyl-3-pentyloxetane is CCCCCC1(C)COC1.
What is the InChIKey of 3-methyl-3-pentyloxetane?
The InChIKey is IYTKEFZTCWJLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-9(2)7-10-8-9/h3-8H2,1-2H3.
What are the key properties of 3-methyl-3-pentyloxetane?
3-methyl-3-pentyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pentyloxetane is sourced from PubChem (CID 22098118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).