3-(butoxymethyl)-2-ethyloxetane

C10H20O2 — CID 141286517

IUPAC3-(butoxymethyl)-2-ethyloxetane
SMILESCCCCOCC1COC1CC
InChIInChI=1S/C10H20O2/c1-3-5-6-11-7-9-8-12-10(9)4-2/h9-10H,3-8H2,1-2H3
InChIKeyZCQFNOYTVIKLLH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 3-(butoxymethyl)-2-ethyloxetane

3-(butoxymethyl)-2-ethyloxetane (PubChem CID 141286517) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(butoxymethyl)-2-ethyloxetane.

Molecular Properties

Compound Name3-(butoxymethyl)-2-ethyloxetane
PubChem CID141286517
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(butoxymethyl)-2-ethyloxetane
SMILESCCCCOCC1COC1CC
InChIInChI=1S/C10H20O2/c1-3-5-6-11-7-9-8-12-10(9)4-2/h9-10H,3-8H2,1-2H3
InChIKeyZCQFNOYTVIKLLH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(butoxymethyl)-2-ethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-Dimethylethyl)-3-methyloxetane
CID 534669
2-Isopropyloxetane
CID 537236
2-Ethyl-3-methyloxetane
CID 40894
(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
3,3-Dimethyl-2-propan-2-yloxetane
CID 11083907
2,2-Dimethoxy-3-methyl-4-propan-2-yloxetane
CID 13429188
(2S,3S)-2-tert-butyl-3-methyloxetane
CID 11412391
1-Ethoxy-2-(ethoxymethyl)-4-methylpentane
CID 17894821
4-Methyl-1-propan-2-yloxypentane
CID 20751384
4-Methyl-1-(3-propan-2-yloxypropoxy)pentane
CID 20752335
2-Methyl-3-pentoxypentane
CID 23119425
3-[1-[1-(Oxetan-3-yl)propoxy]propyl]oxetane
CID 23497861

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-2-ethyloxetane?
The IUPAC name of 3-(butoxymethyl)-2-ethyloxetane (CID 141286517) is 3-(butoxymethyl)-2-ethyloxetane.
What is the SMILES notation for 3-(butoxymethyl)-2-ethyloxetane?
The canonical SMILES for 3-(butoxymethyl)-2-ethyloxetane is CCCCOCC1COC1CC.
What is the InChIKey of 3-(butoxymethyl)-2-ethyloxetane?
The InChIKey is ZCQFNOYTVIKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-11-7-9-8-12-10(9)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-2-ethyloxetane?
3-(butoxymethyl)-2-ethyloxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-2-ethyloxetane is sourced from PubChem (CID 141286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).