24-methyl-1-(24-methylpentacosoxy)pentacosane

C52H106O — CID 57087700

IUPAC24-methyl-1-(24-methylpentacosoxy)pentacosane
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C52H106O/c1-51(2)47-43-39-35-31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37-41-45-49-53-50-46-42-38-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36-40-44-48-52(3)4/h51-52H,5-50H2,1-4H3
InChIKeyJWACRRGVVOYMEX-UHFFFAOYSA-N
MW747.42 g/mol
LogP19.48
Rot. Bonds48

About 24-methyl-1-(24-methylpentacosoxy)pentacosane

24-methyl-1-(24-methylpentacosoxy)pentacosane (PubChem CID 57087700) has the molecular formula C52H106O and a molecular weight of 747.42 g/mol. Its IUPAC name is 24-methyl-1-(24-methylpentacosoxy)pentacosane.

Molecular Properties

Compound Name24-methyl-1-(24-methylpentacosoxy)pentacosane
PubChem CID57087700
Molecular FormulaC52H106O
Molecular Weight747.42 g/mol
Exact Mass746.82
IUPAC Name24-methyl-1-(24-methylpentacosoxy)pentacosane
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C52H106O/c1-51(2)47-43-39-35-31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37-41-45-49-53-50-46-42-38-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36-40-44-48-52(3)4/h51-52H,5-50H2,1-4H3
InChIKeyJWACRRGVVOYMEX-UHFFFAOYSA-N
XLogP19.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.42
LogP ≤ 519.48
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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CID 150695983
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
1-ethoxy-17-methyloctadecane
CID 91042875
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353

Frequently Asked Questions

What is the IUPAC name of 24-methyl-1-(24-methylpentacosoxy)pentacosane?
The IUPAC name of 24-methyl-1-(24-methylpentacosoxy)pentacosane (CID 57087700) is 24-methyl-1-(24-methylpentacosoxy)pentacosane.
What is the SMILES notation for 24-methyl-1-(24-methylpentacosoxy)pentacosane?
The canonical SMILES for 24-methyl-1-(24-methylpentacosoxy)pentacosane is CC(C)CCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 24-methyl-1-(24-methylpentacosoxy)pentacosane?
The InChIKey is JWACRRGVVOYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H106O/c1-51(2)47-43-39-35-31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37-41-45-49-53-50-46-42-38-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36-40-44-48-52(3)4/h51-52H,5-50H2,1-4H3.
What are the key properties of 24-methyl-1-(24-methylpentacosoxy)pentacosane?
24-methyl-1-(24-methylpentacosoxy)pentacosane has a molecular weight of 747.42 g/mol, XLogP of 19.48, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-1-(24-methylpentacosoxy)pentacosane is sourced from PubChem (CID 57087700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).