3,3-dimethylnonanoic acid

C11H22O2 — CID 5282685

IUPAC3,3-dimethylnonanoic acid
SMILESCCCCCCC(C)(C)CC(=O)O
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyYTISNWDNLZEHQA-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.46
Rot. Bonds7

About 3,3-dimethylnonanoic acid

3,3-dimethylnonanoic acid (PubChem CID 5282685) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,3-dimethylnonanoic acid.

Molecular Properties

Compound Name3,3-dimethylnonanoic acid
PubChem CID5282685
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3-dimethylnonanoic acid
SMILESCCCCCCC(C)(C)CC(=O)O
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyYTISNWDNLZEHQA-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethyloctanoyl chloride
CID 56622990
3,3-di(tridecyl)pentanedioic acid
CID 141126442
3-tert-butyl-3-hydroxydecanoic acid
CID 154176683
methyl 3,3-dimethylhenicosanoate
CID 575395
2,2-di(pentadecyl)butanedioic acid
CID 88541002
3,3-dihydroxyoctanoic acid
CID 142784803
16,16,21,21-tetramethylhexatriacontane
CID 174880889
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863
2,2-dioctylbutanedioic acid;sulfane
CID 174869695
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
2-hydroxy-2-methylheptadecanoic acid
CID 19591844

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylnonanoic acid?
The IUPAC name of 3,3-dimethylnonanoic acid (CID 5282685) is 3,3-dimethylnonanoic acid.
What is the SMILES notation for 3,3-dimethylnonanoic acid?
The canonical SMILES for 3,3-dimethylnonanoic acid is CCCCCCC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethylnonanoic acid?
The InChIKey is YTISNWDNLZEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethylnonanoic acid?
3,3-dimethylnonanoic acid has a molecular weight of 186.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylnonanoic acid is sourced from PubChem (CID 5282685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).