1-methoxyhexacosane

C27H56O — CID 20780514

IUPAC1-methoxyhexacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-2/h3-27H2,1-2H3
InChIKeyNPHUNKXXXLITDL-UHFFFAOYSA-N
MW396.74 g/mol
LogP10.02
Rot. Bonds25

About 1-methoxyhexacosane

1-methoxyhexacosane (PubChem CID 20780514) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 1-methoxyhexacosane.

Molecular Properties

Compound Name1-methoxyhexacosane
PubChem CID20780514
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name1-methoxyhexacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCOC
InChIInChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-2/h3-27H2,1-2H3
InChIKeyNPHUNKXXXLITDL-UHFFFAOYSA-N
XLogP10.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 510.02
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

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(Z)-22-methoxydocos-9-ene
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1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-butoxy-4-methoxybutane
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1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
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Frequently Asked Questions

What is the IUPAC name of 1-methoxyhexacosane?
The IUPAC name of 1-methoxyhexacosane (CID 20780514) is 1-methoxyhexacosane.
What is the SMILES notation for 1-methoxyhexacosane?
The canonical SMILES for 1-methoxyhexacosane is CCCCCCCCCCCCCCCCCCCCCCCCCCOC.
What is the InChIKey of 1-methoxyhexacosane?
The InChIKey is NPHUNKXXXLITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-2/h3-27H2,1-2H3.
What are the key properties of 1-methoxyhexacosane?
1-methoxyhexacosane has a molecular weight of 396.74 g/mol, XLogP of 10.02, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhexacosane is sourced from PubChem (CID 20780514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).