3-ethyl-3-(2-hexoxybutyl)oxetane

C15H30O2 — CID 69230600

IUPAC3-ethyl-3-(2-hexoxybutyl)oxetane
SMILESCCCCCCOC(CC)CC1(CC)COC1
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-17-14(5-2)11-15(6-3)12-16-13-15/h14H,4-13H2,1-3H3
InChIKeyKOYVSPNNTACDAM-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds10

About 3-ethyl-3-(2-hexoxybutyl)oxetane

3-ethyl-3-(2-hexoxybutyl)oxetane (PubChem CID 69230600) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3-ethyl-3-(2-hexoxybutyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-hexoxybutyl)oxetane
PubChem CID69230600
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3-ethyl-3-(2-hexoxybutyl)oxetane
SMILESCCCCCCOC(CC)CC1(CC)COC1
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-17-14(5-2)11-15(6-3)12-16-13-15/h14H,4-13H2,1-3H3
InChIKeyKOYVSPNNTACDAM-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
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-ethyl-3-(2-hexoxybutyl)oxetane?
The IUPAC name of 3-ethyl-3-(2-hexoxybutyl)oxetane (CID 69230600) is 3-ethyl-3-(2-hexoxybutyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-hexoxybutyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-hexoxybutyl)oxetane is CCCCCCOC(CC)CC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(2-hexoxybutyl)oxetane?
The InChIKey is KOYVSPNNTACDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-7-8-9-10-17-14(5-2)11-15(6-3)12-16-13-15/h14H,4-13H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-hexoxybutyl)oxetane?
3-ethyl-3-(2-hexoxybutyl)oxetane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-hexoxybutyl)oxetane is sourced from PubChem (CID 69230600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).