2-[[(E)-undec-1-enoxy]methyl]oxirane

C14H26O2 — CID 21225215

IUPAC2-[[(E)-undec-1-enoxy]methyl]oxirane
SMILESCCCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyQFUOWNYLODBCKS-ZHACJKMWSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds11

About 2-[[(E)-undec-1-enoxy]methyl]oxirane

2-[[(E)-undec-1-enoxy]methyl]oxirane (PubChem CID 21225215) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[[(E)-undec-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-undec-1-enoxy]methyl]oxirane
PubChem CID21225215
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[[(E)-undec-1-enoxy]methyl]oxirane
SMILESCCCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyQFUOWNYLODBCKS-ZHACJKMWSA-N
XLogP4.06
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 ≤ 54.06
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-[[(E)-undec-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-undec-1-enoxy]methyl]oxirane (CID 21225215) is 2-[[(E)-undec-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-undec-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-undec-1-enoxy]methyl]oxirane is CCCCCCCCC/C=C/OCC1CO1.
What is the InChIKey of 2-[[(E)-undec-1-enoxy]methyl]oxirane?
The InChIKey is QFUOWNYLODBCKS-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+.
What are the key properties of 2-[[(E)-undec-1-enoxy]methyl]oxirane?
2-[[(E)-undec-1-enoxy]methyl]oxirane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-undec-1-enoxy]methyl]oxirane is sourced from PubChem (CID 21225215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).