2-(dec-1-enoxymethyl)oxirane

C13H24O2 — CID 57036247

IUPAC2-(dec-1-enoxymethyl)oxirane
SMILESCCCCCCCCC=COCC1CO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyNBDNJAMBUZDQED-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds10

About 2-(dec-1-enoxymethyl)oxirane

2-(dec-1-enoxymethyl)oxirane (PubChem CID 57036247) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(dec-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(dec-1-enoxymethyl)oxirane
PubChem CID57036247
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(dec-1-enoxymethyl)oxirane
SMILESCCCCCCCCC=COCC1CO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyNBDNJAMBUZDQED-UHFFFAOYSA-N
XLogP3.67
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
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-(dec-1-enoxymethyl)oxirane?
The IUPAC name of 2-(dec-1-enoxymethyl)oxirane (CID 57036247) is 2-(dec-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(dec-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(dec-1-enoxymethyl)oxirane is CCCCCCCCC=COCC1CO1.
What is the InChIKey of 2-(dec-1-enoxymethyl)oxirane?
The InChIKey is NBDNJAMBUZDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 2-(dec-1-enoxymethyl)oxirane?
2-(dec-1-enoxymethyl)oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dec-1-enoxymethyl)oxirane is sourced from PubChem (CID 57036247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).