2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane

C24H46O3 — CID 139720697

IUPAC2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCC1(COCC2CO2)CO1
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22-27-24)21-25-19-23-20-26-23/h23H,2-22H2,1H3
InChIKeyQLOPAVKJRHBUQX-UHFFFAOYSA-N
MW382.63 g/mol
LogP6.82
Rot. Bonds21

About 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane

2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 139720697) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID139720697
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCC1(COCC2CO2)CO1
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22-27-24)21-25-19-23-20-26-23/h23H,2-22H2,1H3
InChIKeyQLOPAVKJRHBUQX-UHFFFAOYSA-N
XLogP6.82
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane
CID 142743702
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2-(pentoxymethyl)oxirane
CID 160890113
2-hexyl-2-propyloxirane
CID 139691135
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488

Frequently Asked Questions

What is the IUPAC name of 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane (CID 139720697) is 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane is CCCCCCCCCCCCCCCCCCC1(COCC2CO2)CO1.
What is the InChIKey of 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is QLOPAVKJRHBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22-27-24)21-25-19-23-20-26-23/h23H,2-22H2,1H3.
What are the key properties of 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 382.63 g/mol, XLogP of 6.82, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 139720697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).