1-methoxytetracosane

C25H52O — CID 20507465

IUPAC1-methoxytetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C25H52O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-2/h3-25H2,1-2H3
InChIKeyJLCJNLDDZJMFPQ-UHFFFAOYSA-N
MW368.69 g/mol
LogP9.23
Rot. Bonds23

About 1-methoxytetracosane

1-methoxytetracosane (PubChem CID 20507465) has the molecular formula C25H52O and a molecular weight of 368.69 g/mol. Its IUPAC name is 1-methoxytetracosane.

Molecular Properties

Compound Name1-methoxytetracosane
PubChem CID20507465
Molecular FormulaC25H52O
Molecular Weight368.69 g/mol
Exact Mass368.40
IUPAC Name1-methoxytetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C25H52O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-2/h3-25H2,1-2H3
InChIKeyJLCJNLDDZJMFPQ-UHFFFAOYSA-N
XLogP9.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 59.23
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-methoxytetracosane?
The IUPAC name of 1-methoxytetracosane (CID 20507465) is 1-methoxytetracosane.
What is the SMILES notation for 1-methoxytetracosane?
The canonical SMILES for 1-methoxytetracosane is CCCCCCCCCCCCCCCCCCCCCCCCOC.
What is the InChIKey of 1-methoxytetracosane?
The InChIKey is JLCJNLDDZJMFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-2/h3-25H2,1-2H3.
What are the key properties of 1-methoxytetracosane?
1-methoxytetracosane has a molecular weight of 368.69 g/mol, XLogP of 9.23, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxytetracosane is sourced from PubChem (CID 20507465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).