2-[2-(3-methylbutoxy)ethyl]oxetane

C10H20O2 — CID 150212884

IUPAC2-[2-(3-methylbutoxy)ethyl]oxetane
SMILESCC(C)CCOCCC1CCO1
InChIInChI=1S/C10H20O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyFRWCTMAOZHKLHI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-(3-methylbutoxy)ethyl]oxetane

2-[2-(3-methylbutoxy)ethyl]oxetane (PubChem CID 150212884) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethyl]oxetane.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethyl]oxetane
PubChem CID150212884
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[2-(3-methylbutoxy)ethyl]oxetane
SMILESCC(C)CCOCCC1CCO1
InChIInChI=1S/C10H20O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyFRWCTMAOZHKLHI-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'}

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Related Compounds

2-(5-methylhexyl)oxetane
CID 173452744
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
4-bromo-3-[2-(3-methylbutoxy)ethyl]oxane
CID 106471736
2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
CID 144531318
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
CID 167480548
N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 114105549
4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
CID 13464119
7,7-dimethyl-N-[2-(3-methylbutoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethyl]oxetane?
The IUPAC name of 2-[2-(3-methylbutoxy)ethyl]oxetane (CID 150212884) is 2-[2-(3-methylbutoxy)ethyl]oxetane.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethyl]oxetane?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethyl]oxetane is CC(C)CCOCCC1CCO1.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethyl]oxetane?
The InChIKey is FRWCTMAOZHKLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)3-6-11-7-4-10-5-8-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutoxy)ethyl]oxetane?
2-[2-(3-methylbutoxy)ethyl]oxetane 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 2-[2-(3-methylbutoxy)ethyl]oxetane is sourced from PubChem (CID 150212884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).