(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid

C33H66O2 — CID 52921748

IUPAC(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)24-29(3)25-30(4)26-31(5)27-32(6)33(34)35/h28-32H,7-27H2,1-6H3,(H,34,35)/t28-,29-,30-,31-,32-/m1/s1
InChIKeyKCPUANXJIFJRIA-NYDDOVQGSA-N
MW494.89 g/mol
LogP11.46
Rot. Bonds26

About (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid

(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid (PubChem CID 52921748) has the molecular formula C33H66O2 and a molecular weight of 494.89 g/mol. Its IUPAC name is (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid.

Molecular Properties

Compound Name(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
PubChem CID52921748
Molecular FormulaC33H66O2
Molecular Weight494.89 g/mol
Exact Mass494.51
IUPAC Name(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)24-29(3)25-30(4)26-31(5)27-32(6)33(34)35/h28-32H,7-27H2,1-6H3,(H,34,35)/t28-,29-,30-,31-,32-/m1/s1
InChIKeyKCPUANXJIFJRIA-NYDDOVQGSA-N
XLogP11.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid with MolForge

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Related Compounds

2,4-dimethyltetradecanoic acid
CID 5282697
(2S,4S,6S,8R,10R,12R)-13-hydroxy-2,4,6,8,10,12-hexamethyltriacontanoic acid
CID 52921754
2,5-dimethylhexadecanoic acid
CID 22251811
2,11-dimethylhexadecanoic acid
CID 22251936
heptane;2-methylheptadecanoic acid
CID 175511035
butyl 2,4,6,8-tetramethyltriacontanoate
CID 90425788
6,8-dimethylhexadecane
CID 91185725
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-hydroxy-4-methylundecanoic acid
CID 87684052
2,4-dimethylicosanoate
CID 102514957
2-methyloctanoic acid chloride
CID 86745562
2-butyl-4-methylundecanoic acid
CID 170848284

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid?
The IUPAC name of (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid (CID 52921748) is (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid.
What is the SMILES notation for (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid?
The canonical SMILES for (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid is CCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid?
The InChIKey is KCPUANXJIFJRIA-NYDDOVQGSA-N. The full InChI is InChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)24-29(3)25-30(4)26-31(5)27-32(6)33(34)35/h28-32H,7-27H2,1-6H3,(H,34,35)/t28-,29-,30-,31-,32-/m1/s1.
What are the key properties of (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid?
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid has a molecular weight of 494.89 g/mol, XLogP of 11.46, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid is sourced from PubChem (CID 52921748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).