2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane

C16H30O2 — CID 67087345

IUPAC2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane
SMILESCCC1(CCCCCCC2(CC)CCO2)CCO1
InChIInChI=1S/C16H30O2/c1-3-15(11-13-17-15)9-7-5-6-8-10-16(4-2)12-14-18-16/h3-14H2,1-2H3
InChIKeyAVSCDESYWZDELT-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.47
Rot. Bonds9

About 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane

2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane (PubChem CID 67087345) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane.

Molecular Properties

Compound Name2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane
PubChem CID67087345
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane
SMILESCCC1(CCCCCCC2(CC)CCO2)CCO1
InChIInChI=1S/C16H30O2/c1-3-15(11-13-17-15)9-7-5-6-8-10-16(4-2)12-14-18-16/h3-14H2,1-2H3
InChIKeyAVSCDESYWZDELT-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.47
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 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane?
The IUPAC name of 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane (CID 67087345) is 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane.
What is the SMILES notation for 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane?
The canonical SMILES for 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane is CCC1(CCCCCCC2(CC)CCO2)CCO1.
What is the InChIKey of 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane?
The InChIKey is AVSCDESYWZDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-15(11-13-17-15)9-7-5-6-8-10-16(4-2)12-14-18-16/h3-14H2,1-2H3.
What are the key properties of 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane?
2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane has a molecular weight of 254.41 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[6-(2-ethyloxetan-2-yl)hexyl]oxetane is sourced from PubChem (CID 67087345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).