2-[2-(8-methylnonoxy)ethyl]oxetane

C15H30O2 — CID 22251789

IUPAC2-[2-(8-methylnonoxy)ethyl]oxetane
SMILESCC(C)CCCCCCCOCCC1CCO1
InChIInChI=1S/C15H30O2/c1-14(2)8-6-4-3-5-7-11-16-12-9-15-10-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyBLFWCMPUYADXLD-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds11

About 2-[2-(8-methylnonoxy)ethyl]oxetane

2-[2-(8-methylnonoxy)ethyl]oxetane (PubChem CID 22251789) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-[2-(8-methylnonoxy)ethyl]oxetane.

Molecular Properties

Compound Name2-[2-(8-methylnonoxy)ethyl]oxetane
PubChem CID22251789
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-[2-(8-methylnonoxy)ethyl]oxetane
SMILESCC(C)CCCCCCCOCCC1CCO1
InChIInChI=1S/C15H30O2/c1-14(2)8-6-4-3-5-7-11-16-12-9-15-10-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyBLFWCMPUYADXLD-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
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 2-[2-(8-methylnonoxy)ethyl]oxetane?
The IUPAC name of 2-[2-(8-methylnonoxy)ethyl]oxetane (CID 22251789) is 2-[2-(8-methylnonoxy)ethyl]oxetane.
What is the SMILES notation for 2-[2-(8-methylnonoxy)ethyl]oxetane?
The canonical SMILES for 2-[2-(8-methylnonoxy)ethyl]oxetane is CC(C)CCCCCCCOCCC1CCO1.
What is the InChIKey of 2-[2-(8-methylnonoxy)ethyl]oxetane?
The InChIKey is BLFWCMPUYADXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-14(2)8-6-4-3-5-7-11-16-12-9-15-10-13-17-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[2-(8-methylnonoxy)ethyl]oxetane?
2-[2-(8-methylnonoxy)ethyl]oxetane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methylnonoxy)ethyl]oxetane is sourced from PubChem (CID 22251789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).