1-methoxydocosane

C23H48O — CID 87077550

IUPAC1-methoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C23H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-23H2,1-2H3
InChIKeyQYXQOJNAQHQRSY-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.45
Rot. Bonds21

About 1-methoxydocosane

1-methoxydocosane (PubChem CID 87077550) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 1-methoxydocosane.

Molecular Properties

Compound Name1-methoxydocosane
PubChem CID87077550
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name1-methoxydocosane
SMILESCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C23H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-23H2,1-2H3
InChIKeyQYXQOJNAQHQRSY-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.45
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-methoxydocosane?
The IUPAC name of 1-methoxydocosane (CID 87077550) is 1-methoxydocosane.
What is the SMILES notation for 1-methoxydocosane?
The canonical SMILES for 1-methoxydocosane is CCCCCCCCCCCCCCCCCCCCCCOC.
What is the InChIKey of 1-methoxydocosane?
The InChIKey is QYXQOJNAQHQRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-23H2,1-2H3.
What are the key properties of 1-methoxydocosane?
1-methoxydocosane has a molecular weight of 340.64 g/mol, XLogP of 8.45, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydocosane is sourced from PubChem (CID 87077550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).