6-(ethenoxymethyl)tridecane

C16H32O — CID 90318820

IUPAC6-(ethenoxymethyl)tridecane
SMILESC=COCC(CCCCC)CCCCCCC
InChIInChI=1S/C16H32O/c1-4-7-9-10-12-14-16(15-17-6-3)13-11-8-5-2/h6,16H,3-5,7-15H2,1-2H3
InChIKeyNGEFPNIVJBZWAB-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.70
Rot. Bonds13

About 6-(ethenoxymethyl)tridecane

6-(ethenoxymethyl)tridecane (PubChem CID 90318820) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 6-(ethenoxymethyl)tridecane.

Molecular Properties

Compound Name6-(ethenoxymethyl)tridecane
PubChem CID90318820
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name6-(ethenoxymethyl)tridecane
SMILESC=COCC(CCCCC)CCCCCCC
InChIInChI=1S/C16H32O/c1-4-7-9-10-12-14-16(15-17-6-3)13-11-8-5-2/h6,16H,3-5,7-15H2,1-2H3
InChIKeyNGEFPNIVJBZWAB-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.70
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 6-(ethenoxymethyl)tridecane?
The IUPAC name of 6-(ethenoxymethyl)tridecane (CID 90318820) is 6-(ethenoxymethyl)tridecane.
What is the SMILES notation for 6-(ethenoxymethyl)tridecane?
The canonical SMILES for 6-(ethenoxymethyl)tridecane is C=COCC(CCCCC)CCCCCCC.
What is the InChIKey of 6-(ethenoxymethyl)tridecane?
The InChIKey is NGEFPNIVJBZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-7-9-10-12-14-16(15-17-6-3)13-11-8-5-2/h6,16H,3-5,7-15H2,1-2H3.
What are the key properties of 6-(ethenoxymethyl)tridecane?
6-(ethenoxymethyl)tridecane has a molecular weight of 240.43 g/mol, XLogP of 5.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethenoxymethyl)tridecane is sourced from PubChem (CID 90318820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).