1-ethenoxy-11-methyldodecane

C15H30O — CID 14454738

IUPAC1-ethenoxy-11-methyldodecane
SMILESC=COCCCCCCCCCCC(C)C
InChIInChI=1S/C15H30O/c1-4-16-14-12-10-8-6-5-7-9-11-13-15(2)3/h4,15H,1,5-14H2,2-3H3
InChIKeyZGNCMYIGUNROMY-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.31
Rot. Bonds12

About 1-ethenoxy-11-methyldodecane

1-ethenoxy-11-methyldodecane (PubChem CID 14454738) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-ethenoxy-11-methyldodecane.

Molecular Properties

Compound Name1-ethenoxy-11-methyldodecane
PubChem CID14454738
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-ethenoxy-11-methyldodecane
SMILESC=COCCCCCCCCCCC(C)C
InChIInChI=1S/C15H30O/c1-4-16-14-12-10-8-6-5-7-9-11-13-15(2)3/h4,15H,1,5-14H2,2-3H3
InChIKeyZGNCMYIGUNROMY-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.31
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-ethenoxy-11-methyldodecane?
The IUPAC name of 1-ethenoxy-11-methyldodecane (CID 14454738) is 1-ethenoxy-11-methyldodecane.
What is the SMILES notation for 1-ethenoxy-11-methyldodecane?
The canonical SMILES for 1-ethenoxy-11-methyldodecane is C=COCCCCCCCCCCC(C)C.
What is the InChIKey of 1-ethenoxy-11-methyldodecane?
The InChIKey is ZGNCMYIGUNROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-16-14-12-10-8-6-5-7-9-11-13-15(2)3/h4,15H,1,5-14H2,2-3H3.
What are the key properties of 1-ethenoxy-11-methyldodecane?
1-ethenoxy-11-methyldodecane has a molecular weight of 226.40 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-11-methyldodecane is sourced from PubChem (CID 14454738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).