3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane

C23H46O2 — CID 87296241

IUPAC3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane
SMILESC=CCOCCC(CC)(CCCCCCCCCCCCC)OCC
InChIInChI=1S/C23H46O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-23(7-3,25-8-4)20-22-24-21-6-2/h6H,2,5,7-22H2,1,3-4H3
InChIKeyASQDFBJFFVTSRK-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.47
Rot. Bonds20

About 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane

3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane (PubChem CID 87296241) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane
PubChem CID87296241
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane
SMILESC=CCOCCC(CC)(CCCCCCCCCCCCC)OCC
InChIInChI=1S/C23H46O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-23(7-3,25-8-4)20-22-24-21-6-2/h6H,2,5,7-22H2,1,3-4H3
InChIKeyASQDFBJFFVTSRK-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane?
The IUPAC name of 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane (CID 87296241) is 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane?
The canonical SMILES for 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane is C=CCOCCC(CC)(CCCCCCCCCCCCC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane?
The InChIKey is ASQDFBJFFVTSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-23(7-3,25-8-4)20-22-24-21-6-2/h6H,2,5,7-22H2,1,3-4H3.
What are the key properties of 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane?
3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane has a molecular weight of 354.62 g/mol, XLogP of 7.47, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-prop-2-enoxyhexadecane is sourced from PubChem (CID 87296241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).