4,4,6,6,8,8-hexamethylnonanoic acid

C15H30O2 — CID 134471659

IUPAC4,4,6,6,8,8-hexamethylnonanoic acid
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30O2/c1-13(2,3)10-15(6,7)11-14(4,5)9-8-12(16)17/h8-11H2,1-7H3,(H,16,17)
InChIKeyQVDJXPWDPQWJCO-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.73
Rot. Bonds6

About 4,4,6,6,8,8-hexamethylnonanoic acid

4,4,6,6,8,8-hexamethylnonanoic acid (PubChem CID 134471659) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4,4,6,6,8,8-hexamethylnonanoic acid.

Molecular Properties

Compound Name4,4,6,6,8,8-hexamethylnonanoic acid
PubChem CID134471659
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4,4,6,6,8,8-hexamethylnonanoic acid
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30O2/c1-13(2,3)10-15(6,7)11-14(4,5)9-8-12(16)17/h8-11H2,1-7H3,(H,16,17)
InChIKeyQVDJXPWDPQWJCO-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
4,4,6,6-tetramethyl-8-oxodecanoic acid
CID 89192992
4,4-dimethylhexanoic acid
CID 12563914
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,2,4,4,6,6-hexamethylheptane
CID 2795065
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
4,4,14,14-tetramethyl-9-oxoheptadecanedioic acid
CID 10109732

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,8,8-hexamethylnonanoic acid?
The IUPAC name of 4,4,6,6,8,8-hexamethylnonanoic acid (CID 134471659) is 4,4,6,6,8,8-hexamethylnonanoic acid.
What is the SMILES notation for 4,4,6,6,8,8-hexamethylnonanoic acid?
The canonical SMILES for 4,4,6,6,8,8-hexamethylnonanoic acid is CC(C)(C)CC(C)(C)CC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4,6,6,8,8-hexamethylnonanoic acid?
The InChIKey is QVDJXPWDPQWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-13(2,3)10-15(6,7)11-14(4,5)9-8-12(16)17/h8-11H2,1-7H3,(H,16,17).
What are the key properties of 4,4,6,6,8,8-hexamethylnonanoic acid?
4,4,6,6,8,8-hexamethylnonanoic acid has a molecular weight of 242.40 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,8,8-hexamethylnonanoic acid is sourced from PubChem (CID 134471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).