1-ethenoxypentadecane

C17H34O — CID 14647797

IUPAC1-ethenoxypentadecane
SMILESC=COCCCCCCCCCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-4-2/h4H,2-3,5-17H2,1H3
InChIKeyMUCVBXYYBWEXHD-UHFFFAOYSA-N
MW254.46 g/mol
LogP6.24
Rot. Bonds15

About 1-ethenoxypentadecane

1-ethenoxypentadecane (PubChem CID 14647797) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-ethenoxypentadecane.

Molecular Properties

Compound Name1-ethenoxypentadecane
PubChem CID14647797
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-ethenoxypentadecane
SMILESC=COCCCCCCCCCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-4-2/h4H,2-3,5-17H2,1H3
InChIKeyMUCVBXYYBWEXHD-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 56.24
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-ethenoxypentadecane?
The IUPAC name of 1-ethenoxypentadecane (CID 14647797) is 1-ethenoxypentadecane.
What is the SMILES notation for 1-ethenoxypentadecane?
The canonical SMILES for 1-ethenoxypentadecane is C=COCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxypentadecane?
The InChIKey is MUCVBXYYBWEXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-4-2/h4H,2-3,5-17H2,1H3.
What are the key properties of 1-ethenoxypentadecane?
1-ethenoxypentadecane has a molecular weight of 254.46 g/mol, XLogP of 6.24, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypentadecane is sourced from PubChem (CID 14647797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).