2-(octadec-1-enoxymethyl)oxirane

C21H40O2 — CID 56611243

IUPAC2-(octadec-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h17-18,21H,2-16,19-20H2,1H3
InChIKeySDNUNGOAWMMVPP-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.79
Rot. Bonds18

About 2-(octadec-1-enoxymethyl)oxirane

2-(octadec-1-enoxymethyl)oxirane (PubChem CID 56611243) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 2-(octadec-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(octadec-1-enoxymethyl)oxirane
PubChem CID56611243
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name2-(octadec-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h17-18,21H,2-16,19-20H2,1H3
InChIKeySDNUNGOAWMMVPP-UHFFFAOYSA-N
XLogP6.79
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.79
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-(octadec-1-enoxymethyl)oxirane?
The IUPAC name of 2-(octadec-1-enoxymethyl)oxirane (CID 56611243) is 2-(octadec-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(octadec-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(octadec-1-enoxymethyl)oxirane is CCCCCCCCCCCCCCCCC=COCC1CO1.
What is the InChIKey of 2-(octadec-1-enoxymethyl)oxirane?
The InChIKey is SDNUNGOAWMMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h17-18,21H,2-16,19-20H2,1H3.
What are the key properties of 2-(octadec-1-enoxymethyl)oxirane?
2-(octadec-1-enoxymethyl)oxirane has a molecular weight of 324.55 g/mol, XLogP of 6.79, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadec-1-enoxymethyl)oxirane is sourced from PubChem (CID 56611243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).