10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane

C60H122O2 — CID 151805682

IUPAC10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)OC(CCCCC)(CCCC(C)CCC)OC(CCCCCCCCC)CCCCCCCCCCCCC
InChIInChI=1S/C60H122O2/c1-8-14-19-23-27-29-31-33-37-41-45-53-58(51-43-39-35-25-21-16-10-3)61-60(55-47-18-12-5,56-48-50-57(7)49-13-6)62-59(52-44-40-36-26-22-17-11-4)54-46-42-38-34-32-30-28-24-20-15-9-2/h57-59H,8-56H2,1-7H3
InChIKeyRZOAEUNNDXRIBY-UHFFFAOYSA-N
MW875.63 g/mol
LogP22.32
Rot. Bonds54

About 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane

10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane (PubChem CID 151805682) has the molecular formula C60H122O2 and a molecular weight of 875.63 g/mol. Its IUPAC name is 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane.

Molecular Properties

Compound Name10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
PubChem CID151805682
Molecular FormulaC60H122O2
Molecular Weight875.63 g/mol
Exact Mass874.94
IUPAC Name10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)OC(CCCCC)(CCCC(C)CCC)OC(CCCCCCCCC)CCCCCCCCCCCCC
InChIInChI=1S/C60H122O2/c1-8-14-19-23-27-29-31-33-37-41-45-53-58(51-43-39-35-25-21-16-10-3)61-60(55-47-18-12-5,56-48-50-57(7)49-13-6)62-59(52-44-40-36-26-22-17-11-4)54-46-42-38-34-32-30-28-24-20-15-9-2/h57-59H,8-56H2,1-7H3
InChIKeyRZOAEUNNDXRIBY-UHFFFAOYSA-N
XLogP22.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds54
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.63
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
2-methyloctane;4-methyloctane;nonane
CID 160563952
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane?
The IUPAC name of 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane (CID 151805682) is 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane.
What is the SMILES notation for 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane?
The canonical SMILES for 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane is CCCCCCCCCCCCCC(CCCCCCCCC)OC(CCCCC)(CCCC(C)CCC)OC(CCCCCCCCC)CCCCCCCCCCCCC.
What is the InChIKey of 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane?
The InChIKey is RZOAEUNNDXRIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H122O2/c1-8-14-19-23-27-29-31-33-37-41-45-53-58(51-43-39-35-25-21-16-10-3)61-60(55-47-18-12-5,56-48-50-57(7)49-13-6)62-59(52-44-40-36-26-22-17-11-4)54-46-42-38-34-32-30-28-24-20-15-9-2/h57-59H,8-56H2,1-7H3.
What are the key properties of 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane?
10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane has a molecular weight of 875.63 g/mol, XLogP of 22.32, 54 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane is sourced from PubChem (CID 151805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).