3,3-dimethyl-2-(octoxymethyl)oxetane

C14H28O2 — CID 59687567

IUPAC3,3-dimethyl-2-(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1OCC1(C)C
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-15-11-13-14(2,3)12-16-13/h13H,4-12H2,1-3H3
InChIKeyQBBQUNWOWOYFOU-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds9

About 3,3-dimethyl-2-(octoxymethyl)oxetane

3,3-dimethyl-2-(octoxymethyl)oxetane (PubChem CID 59687567) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-(octoxymethyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(octoxymethyl)oxetane
PubChem CID59687567
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3,3-dimethyl-2-(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1OCC1(C)C
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-15-11-13-14(2,3)12-16-13/h13H,4-12H2,1-3H3
InChIKeyQBBQUNWOWOYFOU-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.79
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 3,3-dimethyl-2-(octoxymethyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-(octoxymethyl)oxetane (CID 59687567) is 3,3-dimethyl-2-(octoxymethyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(octoxymethyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(octoxymethyl)oxetane is CCCCCCCCOCC1OCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-(octoxymethyl)oxetane?
The InChIKey is QBBQUNWOWOYFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-15-11-13-14(2,3)12-16-13/h13H,4-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(octoxymethyl)oxetane?
3,3-dimethyl-2-(octoxymethyl)oxetane has a molecular weight of 228.38 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(octoxymethyl)oxetane is sourced from PubChem (CID 59687567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).