3-(6-methoxyhexoxymethyl)-3-methyloxetane

C12H24O3 — CID 59747426

IUPAC3-(6-methoxyhexoxymethyl)-3-methyloxetane
SMILESCOCCCCCCOCC1(C)COC1
InChIInChI=1S/C12H24O3/c1-12(10-15-11-12)9-14-8-6-4-3-5-7-13-2/h3-11H2,1-2H3
InChIKeyXQVXCFCIZFYDBP-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.25
Rot. Bonds9

About 3-(6-methoxyhexoxymethyl)-3-methyloxetane

3-(6-methoxyhexoxymethyl)-3-methyloxetane (PubChem CID 59747426) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(6-methoxyhexoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(6-methoxyhexoxymethyl)-3-methyloxetane
PubChem CID59747426
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-(6-methoxyhexoxymethyl)-3-methyloxetane
SMILESCOCCCCCCOCC1(C)COC1
InChIInChI=1S/C12H24O3/c1-12(10-15-11-12)9-14-8-6-4-3-5-7-13-2/h3-11H2,1-2H3
InChIKeyXQVXCFCIZFYDBP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-(6-methoxyhexoxymethyl)-3-methyloxetane?
The IUPAC name of 3-(6-methoxyhexoxymethyl)-3-methyloxetane (CID 59747426) is 3-(6-methoxyhexoxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(6-methoxyhexoxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(6-methoxyhexoxymethyl)-3-methyloxetane is COCCCCCCOCC1(C)COC1.
What is the InChIKey of 3-(6-methoxyhexoxymethyl)-3-methyloxetane?
The InChIKey is XQVXCFCIZFYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-12(10-15-11-12)9-14-8-6-4-3-5-7-13-2/h3-11H2,1-2H3.
What are the key properties of 3-(6-methoxyhexoxymethyl)-3-methyloxetane?
3-(6-methoxyhexoxymethyl)-3-methyloxetane has a molecular weight of 216.32 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyhexoxymethyl)-3-methyloxetane is sourced from PubChem (CID 59747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).