2-(4-ethylnon-8-enoxymethyl)oxirane

C14H26O2 — CID 123821408

IUPAC2-(4-ethylnon-8-enoxymethyl)oxirane
SMILESC=CCCCC(CC)CCCOCC1CO1
InChIInChI=1S/C14H26O2/c1-3-5-6-8-13(4-2)9-7-10-15-11-14-12-16-14/h3,13-14H,1,4-12H2,2H3
InChIKeyYQHYVABHNNMXGO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.56
Rot. Bonds11

About 2-(4-ethylnon-8-enoxymethyl)oxirane

2-(4-ethylnon-8-enoxymethyl)oxirane (PubChem CID 123821408) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(4-ethylnon-8-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-ethylnon-8-enoxymethyl)oxirane
PubChem CID123821408
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(4-ethylnon-8-enoxymethyl)oxirane
SMILESC=CCCCC(CC)CCCOCC1CO1
InChIInChI=1S/C14H26O2/c1-3-5-6-8-13(4-2)9-7-10-15-11-14-12-16-14/h3,13-14H,1,4-12H2,2H3
InChIKeyYQHYVABHNNMXGO-UHFFFAOYSA-N
XLogP3.56
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(4-ethylnon-8-enoxymethyl)oxirane?
The IUPAC name of 2-(4-ethylnon-8-enoxymethyl)oxirane (CID 123821408) is 2-(4-ethylnon-8-enoxymethyl)oxirane.
What is the SMILES notation for 2-(4-ethylnon-8-enoxymethyl)oxirane?
The canonical SMILES for 2-(4-ethylnon-8-enoxymethyl)oxirane is C=CCCCC(CC)CCCOCC1CO1.
What is the InChIKey of 2-(4-ethylnon-8-enoxymethyl)oxirane?
The InChIKey is YQHYVABHNNMXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-8-13(4-2)9-7-10-15-11-14-12-16-14/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 2-(4-ethylnon-8-enoxymethyl)oxirane?
2-(4-ethylnon-8-enoxymethyl)oxirane has a molecular weight of 226.36 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylnon-8-enoxymethyl)oxirane is sourced from PubChem (CID 123821408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).