3-[(5-methoxy-3-methylpentoxy)methyl]oxetane

C11H22O3 — CID 118655572

IUPAC3-[(5-methoxy-3-methylpentoxy)methyl]oxetane
SMILESCOCCC(C)CCOCC1COC1
InChIInChI=1S/C11H22O3/c1-10(3-5-12-2)4-6-13-7-11-8-14-9-11/h10-11H,3-9H2,1-2H3
InChIKeyJUTIVMCOLIRTRO-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.71
Rot. Bonds8

About 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane

3-[(5-methoxy-3-methylpentoxy)methyl]oxetane (PubChem CID 118655572) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane.

Molecular Properties

Compound Name3-[(5-methoxy-3-methylpentoxy)methyl]oxetane
PubChem CID118655572
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-[(5-methoxy-3-methylpentoxy)methyl]oxetane
SMILESCOCCC(C)CCOCC1COC1
InChIInChI=1S/C11H22O3/c1-10(3-5-12-2)4-6-13-7-11-8-14-9-11/h10-11H,3-9H2,1-2H3
InChIKeyJUTIVMCOLIRTRO-UHFFFAOYSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.71
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-[(5-methoxy-3-methylpentoxy)methyl]oxetane?
The IUPAC name of 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane (CID 118655572) is 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane.
What is the SMILES notation for 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane?
The canonical SMILES for 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane is COCCC(C)CCOCC1COC1.
What is the InChIKey of 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane?
The InChIKey is JUTIVMCOLIRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(3-5-12-2)4-6-13-7-11-8-14-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane?
3-[(5-methoxy-3-methylpentoxy)methyl]oxetane has a molecular weight of 202.29 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-3-methylpentoxy)methyl]oxetane is sourced from PubChem (CID 118655572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).