2-(9-ethylpentadecyl)oxetane

C20H40O — CID 173032138

IUPAC2-(9-ethylpentadecyl)oxetane
SMILESCCCCCCC(CC)CCCCCCCCC1CCO1
InChIInChI=1S/C20H40O/c1-3-5-6-11-14-19(4-2)15-12-9-7-8-10-13-16-20-17-18-21-20/h19-20H,3-18H2,1-2H3
InChIKeyRUFCOLGNJGSUDC-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.89
Rot. Bonds15

About 2-(9-ethylpentadecyl)oxetane

2-(9-ethylpentadecyl)oxetane (PubChem CID 173032138) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(9-ethylpentadecyl)oxetane.

Molecular Properties

Compound Name2-(9-ethylpentadecyl)oxetane
PubChem CID173032138
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-(9-ethylpentadecyl)oxetane
SMILESCCCCCCC(CC)CCCCCCCCC1CCO1
InChIInChI=1S/C20H40O/c1-3-5-6-11-14-19(4-2)15-12-9-7-8-10-13-16-20-17-18-21-20/h19-20H,3-18H2,1-2H3
InChIKeyRUFCOLGNJGSUDC-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-octadecyloxetane
CID 168986267
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
ethanol;2-pentadecyloxetane
CID 68938646
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
2-(2-ethylhexyl)oxetane
CID 158420180
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
2-tetradecyloxolane
CID 10683364
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylpentadecyl)oxetane?
The IUPAC name of 2-(9-ethylpentadecyl)oxetane (CID 173032138) is 2-(9-ethylpentadecyl)oxetane.
What is the SMILES notation for 2-(9-ethylpentadecyl)oxetane?
The canonical SMILES for 2-(9-ethylpentadecyl)oxetane is CCCCCCC(CC)CCCCCCCCC1CCO1.
What is the InChIKey of 2-(9-ethylpentadecyl)oxetane?
The InChIKey is RUFCOLGNJGSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-11-14-19(4-2)15-12-9-7-8-10-13-16-20-17-18-21-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-(9-ethylpentadecyl)oxetane?
2-(9-ethylpentadecyl)oxetane has a molecular weight of 296.54 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylpentadecyl)oxetane is sourced from PubChem (CID 173032138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).