3-(4-methylpentoxymethyl)oxetane

C10H20O2 — CID 58781708

IUPAC3-(4-methylpentoxymethyl)oxetane
SMILESCC(C)CCCOCC1COC1
InChIInChI=1S/C10H20O2/c1-9(2)4-3-5-11-6-10-7-12-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCREDRWBGKQRTEO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds6

About 3-(4-methylpentoxymethyl)oxetane

3-(4-methylpentoxymethyl)oxetane (PubChem CID 58781708) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(4-methylpentoxymethyl)oxetane.

Molecular Properties

Compound Name3-(4-methylpentoxymethyl)oxetane
PubChem CID58781708
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(4-methylpentoxymethyl)oxetane
SMILESCC(C)CCCOCC1COC1
InChIInChI=1S/C10H20O2/c1-9(2)4-3-5-11-6-10-7-12-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCREDRWBGKQRTEO-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
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 3-(4-methylpentoxymethyl)oxetane?
The IUPAC name of 3-(4-methylpentoxymethyl)oxetane (CID 58781708) is 3-(4-methylpentoxymethyl)oxetane.
What is the SMILES notation for 3-(4-methylpentoxymethyl)oxetane?
The canonical SMILES for 3-(4-methylpentoxymethyl)oxetane is CC(C)CCCOCC1COC1.
What is the InChIKey of 3-(4-methylpentoxymethyl)oxetane?
The InChIKey is CREDRWBGKQRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)4-3-5-11-6-10-7-12-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(4-methylpentoxymethyl)oxetane?
3-(4-methylpentoxymethyl)oxetane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxymethyl)oxetane is sourced from PubChem (CID 58781708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).