1-ethenoxyundecane

C13H26O — CID 14647796

IUPAC1-ethenoxyundecane
SMILESC=COCCCCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h4H,2-3,5-13H2,1H3
InChIKeyIOCKYAKQWNEQIY-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds11

About 1-ethenoxyundecane

1-ethenoxyundecane (PubChem CID 14647796) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-ethenoxyundecane.

Molecular Properties

Compound Name1-ethenoxyundecane
PubChem CID14647796
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-ethenoxyundecane
SMILESC=COCCCCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h4H,2-3,5-13H2,1H3
InChIKeyIOCKYAKQWNEQIY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
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-ethenoxyundecane?
The IUPAC name of 1-ethenoxyundecane (CID 14647796) is 1-ethenoxyundecane.
What is the SMILES notation for 1-ethenoxyundecane?
The canonical SMILES for 1-ethenoxyundecane is C=COCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxyundecane?
The InChIKey is IOCKYAKQWNEQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of 1-ethenoxyundecane?
1-ethenoxyundecane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyundecane is sourced from PubChem (CID 14647796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).