1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane

C25H52O2 — CID 90409865

IUPAC1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane
SMILESCOCC(C)(CCCCCCCCCCCCCCCCC(C)C)COC
InChIInChI=1S/C25H52O2/c1-24(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25(3,22-26-4)23-27-5/h24H,6-23H2,1-5H3
InChIKeyNMFRFALAHOMHNQ-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.18
Rot. Bonds21

About 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane

1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane (PubChem CID 90409865) has the molecular formula C25H52O2 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane
PubChem CID90409865
Molecular FormulaC25H52O2
Molecular Weight384.69 g/mol
Exact Mass384.40
IUPAC Name1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane
SMILESCOCC(C)(CCCCCCCCCCCCCCCCC(C)C)COC
InChIInChI=1S/C25H52O2/c1-24(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25(3,22-26-4)23-27-5/h24H,6-23H2,1-5H3
InChIKeyNMFRFALAHOMHNQ-UHFFFAOYSA-N
XLogP8.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2,11-dimethyl-11-(2-methylbutyl)octadecane
CID 90943555
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CID 62619989
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CID 175712820
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CID 91024730
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane (CID 90409865) is 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane is COCC(C)(CCCCCCCCCCCCCCCCC(C)C)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane?
The InChIKey is NMFRFALAHOMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2/c1-24(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25(3,22-26-4)23-27-5/h24H,6-23H2,1-5H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane?
1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane has a molecular weight of 384.69 g/mol, XLogP of 8.18, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane is sourced from PubChem (CID 90409865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).