2-octadecyloxetane

C21H42O — CID 168986267

IUPAC2-octadecyloxetane
SMILESCCCCCCCCCCCCCCCCCCC1CCO1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22-21/h21H,2-20H2,1H3
InChIKeyLOZAPZBRSVYUKE-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.43
Rot. Bonds17

About 2-octadecyloxetane

2-octadecyloxetane (PubChem CID 168986267) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-octadecyloxetane.

Molecular Properties

Compound Name2-octadecyloxetane
PubChem CID168986267
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name2-octadecyloxetane
SMILESCCCCCCCCCCCCCCCCCCC1CCO1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22-21/h21H,2-20H2,1H3
InChIKeyLOZAPZBRSVYUKE-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.43
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

ethanol;2-pentadecyloxetane
CID 68938646
2-tetradecyloxolane
CID 10683364
2-(9-ethylpentadecyl)oxetane
CID 173032138
2-hexyloxolane;oxolane
CID 173130151
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
4-hexadecyl-1,3-dioxane
CID 154382426
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756

Frequently Asked Questions

What is the IUPAC name of 2-octadecyloxetane?
The IUPAC name of 2-octadecyloxetane (CID 168986267) is 2-octadecyloxetane.
What is the SMILES notation for 2-octadecyloxetane?
The canonical SMILES for 2-octadecyloxetane is CCCCCCCCCCCCCCCCCCC1CCO1.
What is the InChIKey of 2-octadecyloxetane?
The InChIKey is LOZAPZBRSVYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22-21/h21H,2-20H2,1H3.
What are the key properties of 2-octadecyloxetane?
2-octadecyloxetane has a molecular weight of 310.57 g/mol, XLogP of 7.43, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyloxetane is sourced from PubChem (CID 168986267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).