1-ethenoxytetradecane

C16H32O — CID 14454739

IUPAC1-ethenoxytetradecane
SMILESC=COCCCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h4H,2-3,5-16H2,1H3
InChIKeyLPYHXIHXJREIMY-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.85
Rot. Bonds14

About 1-ethenoxytetradecane

1-ethenoxytetradecane (PubChem CID 14454739) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-ethenoxytetradecane.

Molecular Properties

Compound Name1-ethenoxytetradecane
PubChem CID14454739
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-ethenoxytetradecane
SMILESC=COCCCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h4H,2-3,5-16H2,1H3
InChIKeyLPYHXIHXJREIMY-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxytetradecane?
The IUPAC name of 1-ethenoxytetradecane (CID 14454739) is 1-ethenoxytetradecane.
What is the SMILES notation for 1-ethenoxytetradecane?
The canonical SMILES for 1-ethenoxytetradecane is C=COCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxytetradecane?
The InChIKey is LPYHXIHXJREIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h4H,2-3,5-16H2,1H3.
What are the key properties of 1-ethenoxytetradecane?
1-ethenoxytetradecane has a molecular weight of 240.43 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxytetradecane is sourced from PubChem (CID 14454739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).