2-(icos-1-enoxymethyl)oxirane

C23H44O2 — CID 57028886

IUPAC2-(icos-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23-22-25-23/h19-20,23H,2-18,21-22H2,1H3
InChIKeyPLBLPEGOLOLFID-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.57
Rot. Bonds20

About 2-(icos-1-enoxymethyl)oxirane

2-(icos-1-enoxymethyl)oxirane (PubChem CID 57028886) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-(icos-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(icos-1-enoxymethyl)oxirane
PubChem CID57028886
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name2-(icos-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23-22-25-23/h19-20,23H,2-18,21-22H2,1H3
InChIKeyPLBLPEGOLOLFID-UHFFFAOYSA-N
XLogP7.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(icos-1-enoxymethyl)oxirane?
The IUPAC name of 2-(icos-1-enoxymethyl)oxirane (CID 57028886) is 2-(icos-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(icos-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(icos-1-enoxymethyl)oxirane is CCCCCCCCCCCCCCCCCCC=COCC1CO1.
What is the InChIKey of 2-(icos-1-enoxymethyl)oxirane?
The InChIKey is PLBLPEGOLOLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23-22-25-23/h19-20,23H,2-18,21-22H2,1H3.
What are the key properties of 2-(icos-1-enoxymethyl)oxirane?
2-(icos-1-enoxymethyl)oxirane has a molecular weight of 352.60 g/mol, XLogP of 7.57, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(icos-1-enoxymethyl)oxirane is sourced from PubChem (CID 57028886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).