3-[2-(3-methylpentoxy)ethoxymethyl]oxetane

C12H24O3 — CID 67047408

IUPAC3-[2-(3-methylpentoxy)ethoxymethyl]oxetane
SMILESCCC(C)CCOCCOCC1COC1
InChIInChI=1S/C12H24O3/c1-3-11(2)4-5-13-6-7-14-8-12-9-15-10-12/h11-12H,3-10H2,1-2H3
InChIKeyAXAYCDDREINFET-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.10
Rot. Bonds9

About 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane

3-[2-(3-methylpentoxy)ethoxymethyl]oxetane (PubChem CID 67047408) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane.

Molecular Properties

Compound Name3-[2-(3-methylpentoxy)ethoxymethyl]oxetane
PubChem CID67047408
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-[2-(3-methylpentoxy)ethoxymethyl]oxetane
SMILESCCC(C)CCOCCOCC1COC1
InChIInChI=1S/C12H24O3/c1-3-11(2)4-5-13-6-7-14-8-12-9-15-10-12/h11-12H,3-10H2,1-2H3
InChIKeyAXAYCDDREINFET-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(3-methylpentoxy)ethoxymethyl]oxetane?
The IUPAC name of 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane (CID 67047408) is 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane.
What is the SMILES notation for 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane?
The canonical SMILES for 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane is CCC(C)CCOCCOCC1COC1.
What is the InChIKey of 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane?
The InChIKey is AXAYCDDREINFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-11(2)4-5-13-6-7-14-8-12-9-15-10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane?
3-[2-(3-methylpentoxy)ethoxymethyl]oxetane has a molecular weight of 216.32 g/mol, XLogP of 2.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpentoxy)ethoxymethyl]oxetane is sourced from PubChem (CID 67047408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).