2,2,4,4,6-pentamethylnonanoic acid

C14H28O2 — CID 143847726

IUPAC2,2,4,4,6-pentamethylnonanoic acid
SMILESCCCC(C)CC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C14H28O2/c1-7-8-11(2)9-13(3,4)10-14(5,6)12(15)16/h11H,7-10H2,1-6H3,(H,15,16)
InChIKeyRLJXEWGGIVEHEW-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.34
Rot. Bonds7

About 2,2,4,4,6-pentamethylnonanoic acid

2,2,4,4,6-pentamethylnonanoic acid (PubChem CID 143847726) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2,4,4,6-pentamethylnonanoic acid.

Molecular Properties

Compound Name2,2,4,4,6-pentamethylnonanoic acid
PubChem CID143847726
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,2,4,4,6-pentamethylnonanoic acid
SMILESCCCC(C)CC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C14H28O2/c1-7-8-11(2)9-13(3,4)10-14(5,6)12(15)16/h11H,7-10H2,1-6H3,(H,15,16)
InChIKeyRLJXEWGGIVEHEW-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
3,6,6,8-tetramethylundecane
CID 90718379
2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
CID 62270301
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
CID 81227544
4,6,6-trimethyldodecane
CID 123621829
2,4-dimethyl-2-phenoxyheptanoic acid
CID 174503954

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6-pentamethylnonanoic acid?
The IUPAC name of 2,2,4,4,6-pentamethylnonanoic acid (CID 143847726) is 2,2,4,4,6-pentamethylnonanoic acid.
What is the SMILES notation for 2,2,4,4,6-pentamethylnonanoic acid?
The canonical SMILES for 2,2,4,4,6-pentamethylnonanoic acid is CCCC(C)CC(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,4,6-pentamethylnonanoic acid?
The InChIKey is RLJXEWGGIVEHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-8-11(2)9-13(3,4)10-14(5,6)12(15)16/h11H,7-10H2,1-6H3,(H,15,16).
What are the key properties of 2,2,4,4,6-pentamethylnonanoic acid?
2,2,4,4,6-pentamethylnonanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6-pentamethylnonanoic acid is sourced from PubChem (CID 143847726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).