1-decoxydecane

C20H42O — CID 17152

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

About 1-decoxydecane

1-decoxydecane (PubChem CID 17152) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 1-decoxydecane.

Molecular Properties

Compound Name1-decoxydecane
PubChem CID17152
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name1-decoxydecane
SMILESCCCCCCCCCCOCCCCCCCCCC
InChIInChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyLTSWUFKUZPPYEG-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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Frequently Asked Questions

What is the IUPAC name of 1-decoxydecane?
The IUPAC name of 1-decoxydecane (CID 17152) is 1-decoxydecane.
What is the SMILES notation for 1-decoxydecane?
The canonical SMILES for 1-decoxydecane is CCCCCCCCCCOCCCCCCCCCC.
What is the InChIKey of 1-decoxydecane?
The InChIKey is LTSWUFKUZPPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 1-decoxydecane?
1-decoxydecane 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-decoxydecane is sourced from PubChem (CID 17152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).