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

C17H32O2 — CID 21225248

IUPAC2-[[(E)-tetradec-1-enoxy]methyl]oxirane
SMILESCCCCCCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+
InChIKeySTIWPCSFJIUHOR-BUHFOSPRSA-N
MW268.44 g/mol
LogP5.23
Rot. Bonds14

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

2-[[(E)-tetradec-1-enoxy]methyl]oxirane (PubChem CID 21225248) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[[(E)-tetradec-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-tetradec-1-enoxy]methyl]oxirane
PubChem CID21225248
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[[(E)-tetradec-1-enoxy]methyl]oxirane
SMILESCCCCCCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+
InChIKeySTIWPCSFJIUHOR-BUHFOSPRSA-N
XLogP5.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.23
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)-tetradec-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-tetradec-1-enoxy]methyl]oxirane (CID 21225248) is 2-[[(E)-tetradec-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-tetradec-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-tetradec-1-enoxy]methyl]oxirane is CCCCCCCCCCCC/C=C/OCC1CO1.
What is the InChIKey of 2-[[(E)-tetradec-1-enoxy]methyl]oxirane?
The InChIKey is STIWPCSFJIUHOR-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+.
What are the key properties of 2-[[(E)-tetradec-1-enoxy]methyl]oxirane?
2-[[(E)-tetradec-1-enoxy]methyl]oxirane has a molecular weight of 268.44 g/mol, XLogP of 5.23, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-tetradec-1-enoxy]methyl]oxirane is sourced from PubChem (CID 21225248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).