1-ethoxyhexadecane

C18H38O — CID 3014866

IUPAC1-ethoxyhexadecane
SMILESCCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C18H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h3-18H2,1-2H3
InChIKeyQGFMFMPFLWUUIH-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.50
Rot. Bonds16

About 1-ethoxyhexadecane

1-ethoxyhexadecane (PubChem CID 3014866) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-ethoxyhexadecane.

Molecular Properties

Compound Name1-ethoxyhexadecane
PubChem CID3014866
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name1-ethoxyhexadecane
SMILESCCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C18H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h3-18H2,1-2H3
InChIKeyQGFMFMPFLWUUIH-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhexadecane?
The IUPAC name of 1-ethoxyhexadecane (CID 3014866) is 1-ethoxyhexadecane.
What is the SMILES notation for 1-ethoxyhexadecane?
The canonical SMILES for 1-ethoxyhexadecane is CCCCCCCCCCCCCCCCOCC.
What is the InChIKey of 1-ethoxyhexadecane?
The InChIKey is QGFMFMPFLWUUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h3-18H2,1-2H3.
What are the key properties of 1-ethoxyhexadecane?
1-ethoxyhexadecane has a molecular weight of 270.50 g/mol, XLogP of 6.50, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhexadecane is sourced from PubChem (CID 3014866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).