2-hexyl-3-pentadecyloxirane

C23H46O — CID 21447526

IUPAC2-hexyl-3-pentadecyloxirane
SMILESCCCCCCCCCCCCCCCC1OC1CCCCCC
InChIInChI=1S/C23H46O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-22(24-23)20-18-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKeyAXULEBAKXMKNBM-UHFFFAOYSA-N
MW338.62 g/mol
LogP8.21
Rot. Bonds19

About 2-hexyl-3-pentadecyloxirane

2-hexyl-3-pentadecyloxirane (PubChem CID 21447526) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-hexyl-3-pentadecyloxirane.

Molecular Properties

Compound Name2-hexyl-3-pentadecyloxirane
PubChem CID21447526
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Name2-hexyl-3-pentadecyloxirane
SMILESCCCCCCCCCCCCCCCC1OC1CCCCCC
InChIInChI=1S/C23H46O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-22(24-23)20-18-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKeyAXULEBAKXMKNBM-UHFFFAOYSA-N
XLogP8.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
2-ethyl-3-henicosyloxirane
CID 20501424
(2R,3R)-2-(iodomethyl)-3-undecyloxirane
CID 10980657
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
(2S,3R)-2-(bromomethyl)-3-pentyloxirane
CID 102212673
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-pentadecyloxirane?
The IUPAC name of 2-hexyl-3-pentadecyloxirane (CID 21447526) is 2-hexyl-3-pentadecyloxirane.
What is the SMILES notation for 2-hexyl-3-pentadecyloxirane?
The canonical SMILES for 2-hexyl-3-pentadecyloxirane is CCCCCCCCCCCCCCCC1OC1CCCCCC.
What is the InChIKey of 2-hexyl-3-pentadecyloxirane?
The InChIKey is AXULEBAKXMKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-22(24-23)20-18-8-6-4-2/h22-23H,3-21H2,1-2H3.
What are the key properties of 2-hexyl-3-pentadecyloxirane?
2-hexyl-3-pentadecyloxirane has a molecular weight of 338.62 g/mol, XLogP of 8.21, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-pentadecyloxirane is sourced from PubChem (CID 21447526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).