2-(tricosoxymethyl)oxirane

C26H52O2 — CID 57227005

IUPAC2-(tricosoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCCCCCCOCC1CO1
InChIInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-26-25-28-26/h26H,2-25H2,1H3
InChIKeyNUCIEGLHQAZMAA-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.61
Rot. Bonds24

About 2-(tricosoxymethyl)oxirane

2-(tricosoxymethyl)oxirane (PubChem CID 57227005) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 2-(tricosoxymethyl)oxirane.

Molecular Properties

Compound Name2-(tricosoxymethyl)oxirane
PubChem CID57227005
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name2-(tricosoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCCCCCCOCC1CO1
InChIInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-26-25-28-26/h26H,2-25H2,1H3
InChIKeyNUCIEGLHQAZMAA-UHFFFAOYSA-N
XLogP8.61
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009

Frequently Asked Questions

What is the IUPAC name of 2-(tricosoxymethyl)oxirane?
The IUPAC name of 2-(tricosoxymethyl)oxirane (CID 57227005) is 2-(tricosoxymethyl)oxirane.
What is the SMILES notation for 2-(tricosoxymethyl)oxirane?
The canonical SMILES for 2-(tricosoxymethyl)oxirane is CCCCCCCCCCCCCCCCCCCCCCCOCC1CO1.
What is the InChIKey of 2-(tricosoxymethyl)oxirane?
The InChIKey is NUCIEGLHQAZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-26-25-28-26/h26H,2-25H2,1H3.
What are the key properties of 2-(tricosoxymethyl)oxirane?
2-(tricosoxymethyl)oxirane has a molecular weight of 396.70 g/mol, XLogP of 8.61, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tricosoxymethyl)oxirane is sourced from PubChem (CID 57227005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).