1-ethoxyoctadecane

C20H42O — CID 3014870

IUPAC1-ethoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3
InChIKeyDGLWHXRTXWIDEE-UHFFFAOYSA-N
MW298.55 g/mol
LogP7.28
Rot. Bonds18

About 1-ethoxyoctadecane

1-ethoxyoctadecane (PubChem CID 3014870) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 1-ethoxyoctadecane.

Molecular Properties

Compound Name1-ethoxyoctadecane
PubChem CID3014870
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name1-ethoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3
InChIKeyDGLWHXRTXWIDEE-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 57.28
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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Related Compounds

Dicaprylyl Ether
CID 12399
Didecyl Ether
CID 17152
Decane, 1-methoxy-
CID 23716
Dilauryl Ether
CID 20667
Dicetyl Ether
CID 77757
Dimyristyl Ether
CID 79433
Distearyl Ether
CID 80526
Heptane, 1,1'-oxybis-
CID 12392
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Dioctyl peroxide
CID 29430
9,10-Epoxyoctadecane
CID 4621500

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyoctadecane?
The IUPAC name of 1-ethoxyoctadecane (CID 3014870) is 1-ethoxyoctadecane.
What is the SMILES notation for 1-ethoxyoctadecane?
The canonical SMILES for 1-ethoxyoctadecane is CCCCCCCCCCCCCCCCCCOCC.
What is the InChIKey of 1-ethoxyoctadecane?
The InChIKey is DGLWHXRTXWIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3.
What are the key properties of 1-ethoxyoctadecane?
1-ethoxyoctadecane has a molecular weight of 298.55 g/mol, XLogP of 7.28, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyoctadecane is sourced from PubChem (CID 3014870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).