2-(3,3-diethylhexoxymethyl)oxetane

C14H28O2 — CID 150671972

IUPAC2-(3,3-diethylhexoxymethyl)oxetane
SMILESCCCC(CC)(CC)CCOCC1CCO1
InChIInChI=1S/C14H28O2/c1-4-8-14(5-2,6-3)9-11-15-12-13-7-10-16-13/h13H,4-12H2,1-3H3
InChIKeyJGBIULRJYAMQQE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds9

About 2-(3,3-diethylhexoxymethyl)oxetane

2-(3,3-diethylhexoxymethyl)oxetane (PubChem CID 150671972) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3,3-diethylhexoxymethyl)oxetane.

Molecular Properties

Compound Name2-(3,3-diethylhexoxymethyl)oxetane
PubChem CID150671972
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(3,3-diethylhexoxymethyl)oxetane
SMILESCCCC(CC)(CC)CCOCC1CCO1
InChIInChI=1S/C14H28O2/c1-4-8-14(5-2,6-3)9-11-15-12-13-7-10-16-13/h13H,4-12H2,1-3H3
InChIKeyJGBIULRJYAMQQE-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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Related Compounds

2-(3-Methoxy-2,2-dimethylbutyl)oxetane
CID 91216506
3-(4,4-Dimethylpentoxy)oxetane
CID 118595821
2-Butan-2-yl-3-methoxyoxetane
CID 124021981
3-Ethyl-3-(methoxymethyl)-2-propyloxetane
CID 155117177
2-(1-Methoxy-3-methylpentan-3-yl)oxetane
CID 175420743
2-(2-Methoxybutan-2-yl)oxetane
CID 175476646
[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methyl acetate
CID 15496907
[(2R,4R)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
CID 101141151
CID 101141164
CID 101141164
1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol
CID 101141165
1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol
CID 130129442
2-(2-Ethylhexoxymethyl)oxetane
CID 17833095

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylhexoxymethyl)oxetane?
The IUPAC name of 2-(3,3-diethylhexoxymethyl)oxetane (CID 150671972) is 2-(3,3-diethylhexoxymethyl)oxetane.
What is the SMILES notation for 2-(3,3-diethylhexoxymethyl)oxetane?
The canonical SMILES for 2-(3,3-diethylhexoxymethyl)oxetane is CCCC(CC)(CC)CCOCC1CCO1.
What is the InChIKey of 2-(3,3-diethylhexoxymethyl)oxetane?
The InChIKey is JGBIULRJYAMQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-8-14(5-2,6-3)9-11-15-12-13-7-10-16-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-(3,3-diethylhexoxymethyl)oxetane?
2-(3,3-diethylhexoxymethyl)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 2-(3,3-diethylhexoxymethyl)oxetane is sourced from PubChem (CID 150671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).