6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid

C18H36O2 — CID 154979376

IUPAC6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid
SMILESCC(CC(C)(C)CC(CC(C)(C)C)C(C)(C)C)C(=O)O
InChIInChI=1S/C18H36O2/c1-13(15(19)20)10-18(8,9)12-14(17(5,6)7)11-16(2,3)4/h13-14H,10-12H2,1-9H3,(H,19,20)
InChIKeyFVYPNKFZIFYYFI-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.61
Rot. Bonds6

About 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid

6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid (PubChem CID 154979376) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid.

Molecular Properties

Compound Name6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid
PubChem CID154979376
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid
SMILESCC(CC(C)(C)CC(CC(C)(C)C)C(C)(C)C)C(=O)O
InChIInChI=1S/C18H36O2/c1-13(15(19)20)10-18(8,9)12-14(17(5,6)7)11-16(2,3)4/h13-14H,10-12H2,1-9H3,(H,19,20)
InChIKeyFVYPNKFZIFYYFI-UHFFFAOYSA-N
XLogP5.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid 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

(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
4-amino-2,4-dimethylpentanoic acid
CID 20501045
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
CID 124629146
2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
2,9,9-trimethyldecanoic acid
CID 142774628
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
manganese;3,5,5-trimethylhexanoic acid
CID 170844741

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid?
The IUPAC name of 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid (CID 154979376) is 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid.
What is the SMILES notation for 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid?
The canonical SMILES for 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid is CC(CC(C)(C)CC(CC(C)(C)C)C(C)(C)C)C(=O)O.
What is the InChIKey of 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid?
The InChIKey is FVYPNKFZIFYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-13(15(19)20)10-18(8,9)12-14(17(5,6)7)11-16(2,3)4/h13-14H,10-12H2,1-9H3,(H,19,20).
What are the key properties of 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid?
6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid has a molecular weight of 284.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid is sourced from PubChem (CID 154979376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).