17-methyl-17,19-di(tetradecyl)pentatriacontane

C64H130 — CID 91342880

IUPAC17-methyl-17,19-di(tetradecyl)pentatriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CC(C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H130/c1-6-10-14-18-22-26-30-34-36-39-43-47-51-55-59-63(58-54-50-46-42-38-32-28-24-20-16-12-8-3)62-64(5,60-56-52-48-44-40-33-29-25-21-17-13-9-4)61-57-53-49-45-41-37-35-31-27-23-19-15-11-7-2/h63H,6-62H2,1-5H3
InChIKeyLGQSVQBPXZUEJD-UHFFFAOYSA-N
MW899.74 g/mol
LogP24.92
Rot. Bonds58

About 17-methyl-17,19-di(tetradecyl)pentatriacontane

17-methyl-17,19-di(tetradecyl)pentatriacontane (PubChem CID 91342880) has the molecular formula C64H130 and a molecular weight of 899.74 g/mol. Its IUPAC name is 17-methyl-17,19-di(tetradecyl)pentatriacontane.

Molecular Properties

Compound Name17-methyl-17,19-di(tetradecyl)pentatriacontane
PubChem CID91342880
Molecular FormulaC64H130
Molecular Weight899.74 g/mol
Exact Mass899.02
IUPAC Name17-methyl-17,19-di(tetradecyl)pentatriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CC(C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H130/c1-6-10-14-18-22-26-30-34-36-39-43-47-51-55-59-63(58-54-50-46-42-38-32-28-24-20-16-12-8-3)62-64(5,60-56-52-48-44-40-33-29-25-21-17-13-9-4)61-57-53-49-45-41-37-35-31-27-23-19-15-11-7-2/h63H,6-62H2,1-5H3
InChIKeyLGQSVQBPXZUEJD-UHFFFAOYSA-N
XLogP24.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds58
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.74
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17,19-di(tetradecyl)pentatriacontane?
The IUPAC name of 17-methyl-17,19-di(tetradecyl)pentatriacontane (CID 91342880) is 17-methyl-17,19-di(tetradecyl)pentatriacontane.
What is the SMILES notation for 17-methyl-17,19-di(tetradecyl)pentatriacontane?
The canonical SMILES for 17-methyl-17,19-di(tetradecyl)pentatriacontane is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CC(C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of 17-methyl-17,19-di(tetradecyl)pentatriacontane?
The InChIKey is LGQSVQBPXZUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H130/c1-6-10-14-18-22-26-30-34-36-39-43-47-51-55-59-63(58-54-50-46-42-38-32-28-24-20-16-12-8-3)62-64(5,60-56-52-48-44-40-33-29-25-21-17-13-9-4)61-57-53-49-45-41-37-35-31-27-23-19-15-11-7-2/h63H,6-62H2,1-5H3.
What are the key properties of 17-methyl-17,19-di(tetradecyl)pentatriacontane?
17-methyl-17,19-di(tetradecyl)pentatriacontane has a molecular weight of 899.74 g/mol, XLogP of 24.92, 58 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-17,19-di(tetradecyl)pentatriacontane is sourced from PubChem (CID 91342880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).