1-ethenoxy-10-methylundecane

C14H28O — CID 14454736

IUPAC1-ethenoxy-10-methylundecane
SMILESC=COCCCCCCCCCC(C)C
InChIInChI=1S/C14H28O/c1-4-15-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyKQDDMFCWCZIWOL-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.92
Rot. Bonds11

About 1-ethenoxy-10-methylundecane

1-ethenoxy-10-methylundecane (PubChem CID 14454736) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethenoxy-10-methylundecane.

Molecular Properties

Compound Name1-ethenoxy-10-methylundecane
PubChem CID14454736
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethenoxy-10-methylundecane
SMILESC=COCCCCCCCCCC(C)C
InChIInChI=1S/C14H28O/c1-4-15-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyKQDDMFCWCZIWOL-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.92
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-10-methylundecane?
The IUPAC name of 1-ethenoxy-10-methylundecane (CID 14454736) is 1-ethenoxy-10-methylundecane.
What is the SMILES notation for 1-ethenoxy-10-methylundecane?
The canonical SMILES for 1-ethenoxy-10-methylundecane is C=COCCCCCCCCCC(C)C.
What is the InChIKey of 1-ethenoxy-10-methylundecane?
The InChIKey is KQDDMFCWCZIWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-15-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 1-ethenoxy-10-methylundecane?
1-ethenoxy-10-methylundecane has a molecular weight of 212.38 g/mol, XLogP of 4.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-10-methylundecane is sourced from PubChem (CID 14454736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).