3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane

C17H34O3 — CID 160915976

IUPAC3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
SMILESCCC1(CC)COC1.CCCCOCC1(CC)COC1
InChIInChI=1S/C10H20O2.C7H14O/c1-3-5-6-11-7-10(4-2)8-12-9-10;1-3-7(4-2)5-8-6-7/h3-9H2,1-2H3;3-6H2,1-2H3
InChIKeySRKFUOHDNAHATQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.05
Rot. Bonds8

About 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane

3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane (PubChem CID 160915976) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane.

Molecular Properties

Compound Name3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
PubChem CID160915976
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
SMILESCCC1(CC)COC1.CCCCOCC1(CC)COC1
InChIInChI=1S/C10H20O2.C7H14O/c1-3-5-6-11-7-10(4-2)8-12-9-10;1-3-7(4-2)5-8-6-7/h3-9H2,1-2H3;3-6H2,1-2H3
InChIKeySRKFUOHDNAHATQ-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.05
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-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane?
The IUPAC name of 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane (CID 160915976) is 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane.
What is the SMILES notation for 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane?
The canonical SMILES for 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane is CCC1(CC)COC1.CCCCOCC1(CC)COC1.
What is the InChIKey of 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane?
The InChIKey is SRKFUOHDNAHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C7H14O/c1-3-5-6-11-7-10(4-2)8-12-9-10;1-3-7(4-2)5-8-6-7/h3-9H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane?
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane has a molecular weight of 286.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane is sourced from PubChem (CID 160915976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).