tetracosyl tetracontanoate

C64H128O2 — CID 168953173

IUPACtetracosyl tetracontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H128O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64(65)66-63-61-59-57-55-53-51-49-47-45-43-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-63H2,1-2H3
InChIKeyXZAHHRHGEORFII-UHFFFAOYSA-N
MW929.73 g/mol
LogP23.98
Rot. Bonds61

About tetracosyl tetracontanoate

tetracosyl tetracontanoate (PubChem CID 168953173) has the molecular formula C64H128O2 and a molecular weight of 929.73 g/mol. Its IUPAC name is tetracosyl tetracontanoate.

Molecular Properties

Compound Nametetracosyl tetracontanoate
PubChem CID168953173
Molecular FormulaC64H128O2
Molecular Weight929.73 g/mol
Exact Mass928.99
IUPAC Nametetracosyl tetracontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H128O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64(65)66-63-61-59-57-55-53-51-49-47-45-43-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-63H2,1-2H3
InChIKeyXZAHHRHGEORFII-UHFFFAOYSA-N
XLogP23.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds61
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.73
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tetracosyl tetracontanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of tetracosyl tetracontanoate?
The IUPAC name of tetracosyl tetracontanoate (CID 168953173) is tetracosyl tetracontanoate.
What is the SMILES notation for tetracosyl tetracontanoate?
The canonical SMILES for tetracosyl tetracontanoate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of tetracosyl tetracontanoate?
The InChIKey is XZAHHRHGEORFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H128O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64(65)66-63-61-59-57-55-53-51-49-47-45-43-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-63H2,1-2H3.
What are the key properties of tetracosyl tetracontanoate?
tetracosyl tetracontanoate has a molecular weight of 929.73 g/mol, XLogP of 23.98, 61 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosyl tetracontanoate is sourced from PubChem (CID 168953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).