ethanol;2-pentadecyloxetane

C20H42O2 — CID 68938646

IUPACethanol;2-pentadecyloxetane
SMILESCCCCCCCCCCCCCCCC1CCO1.CCO
InChIInChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-19-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3
InChIKeyMXOXRUHJLUQQHA-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.26
Rot. Bonds14

About ethanol;2-pentadecyloxetane

ethanol;2-pentadecyloxetane (PubChem CID 68938646) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is ethanol;2-pentadecyloxetane.

Molecular Properties

Compound Nameethanol;2-pentadecyloxetane
PubChem CID68938646
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Nameethanol;2-pentadecyloxetane
SMILESCCCCCCCCCCCCCCCC1CCO1.CCO
InChIInChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-19-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3
InChIKeyMXOXRUHJLUQQHA-UHFFFAOYSA-N
XLogP6.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octadecyloxetane
CID 168986267
2-tetradecyloxolane
CID 10683364
2-(9-ethylpentadecyl)oxetane
CID 173032138
2-hexyloxolane;oxolane
CID 173130151
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
2-pentyloxetane;phenol
CID 67793049
4-hexadecyl-1,3-dioxane
CID 154382426
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
(2S)-2-pentadecyloxirane
CID 10706151

Frequently Asked Questions

What is the IUPAC name of ethanol;2-pentadecyloxetane?
The IUPAC name of ethanol;2-pentadecyloxetane (CID 68938646) is ethanol;2-pentadecyloxetane.
What is the SMILES notation for ethanol;2-pentadecyloxetane?
The canonical SMILES for ethanol;2-pentadecyloxetane is CCCCCCCCCCCCCCCC1CCO1.CCO.
What is the InChIKey of ethanol;2-pentadecyloxetane?
The InChIKey is MXOXRUHJLUQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-19-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;2-pentadecyloxetane?
ethanol;2-pentadecyloxetane has a molecular weight of 314.55 g/mol, XLogP of 6.26, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-pentadecyloxetane is sourced from PubChem (CID 68938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).