2-(2,2-dimethylpropyl)undecanoic acid

C16H32O2 — CID 20558318

IUPAC2-(2,2-dimethylpropyl)undecanoic acid
SMILESCCCCCCCCCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(15(17)18)13-16(2,3)4/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyDFGUQSNBEXANJW-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.26
Rot. Bonds10

About 2-(2,2-dimethylpropyl)undecanoic acid

2-(2,2-dimethylpropyl)undecanoic acid (PubChem CID 20558318) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)undecanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)undecanoic acid
PubChem CID20558318
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-(2,2-dimethylpropyl)undecanoic acid
SMILESCCCCCCCCCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(15(17)18)13-16(2,3)4/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyDFGUQSNBEXANJW-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.26
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

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-nonyl-4-tridecylpentanedioic acid
CID 87929882

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)undecanoic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)undecanoic acid (CID 20558318) is 2-(2,2-dimethylpropyl)undecanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)undecanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)undecanoic acid is CCCCCCCCCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropyl)undecanoic acid?
The InChIKey is DFGUQSNBEXANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(15(17)18)13-16(2,3)4/h14H,5-13H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,2-dimethylpropyl)undecanoic acid?
2-(2,2-dimethylpropyl)undecanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)undecanoic acid is sourced from PubChem (CID 20558318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).