2,4-dimethyltetradecanoic acid

C16H32O2 — CID 5282697

IUPAC2,4-dimethyltetradecanoic acid
SMILESCCCCCCCCCCC(C)CC(C)C(=O)O
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyZFUWGIZDTXJFSP-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.26
Rot. Bonds12

About 2,4-dimethyltetradecanoic acid

2,4-dimethyltetradecanoic acid (PubChem CID 5282697) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,4-dimethyltetradecanoic acid.

Molecular Properties

Compound Name2,4-dimethyltetradecanoic acid
PubChem CID5282697
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,4-dimethyltetradecanoic acid
SMILESCCCCCCCCCCC(C)CC(C)C(=O)O
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyZFUWGIZDTXJFSP-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
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

(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
2,5-dimethylhexadecanoic acid
CID 22251811
2,11-dimethylhexadecanoic acid
CID 22251936
heptane;2-methylheptadecanoic acid
CID 175511035
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-hydroxy-4-methylundecanoic acid
CID 87684052
2,4-dimethylicosanoate
CID 102514957
(2S,4S,6S,8R,10R,12R)-13-hydroxy-2,4,6,8,10,12-hexamethyltriacontanoic acid
CID 52921754
2-methyloctanoic acid chloride
CID 86745562
2-butyl-4-methylundecanoic acid
CID 170848284
4-methyl-2-propan-2-yltetradecanoic acid
CID 23394746
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyltetradecanoic acid?
The IUPAC name of 2,4-dimethyltetradecanoic acid (CID 5282697) is 2,4-dimethyltetradecanoic acid.
What is the SMILES notation for 2,4-dimethyltetradecanoic acid?
The canonical SMILES for 2,4-dimethyltetradecanoic acid is CCCCCCCCCCC(C)CC(C)C(=O)O.
What is the InChIKey of 2,4-dimethyltetradecanoic acid?
The InChIKey is ZFUWGIZDTXJFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyltetradecanoic acid?
2,4-dimethyltetradecanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyltetradecanoic acid is sourced from PubChem (CID 5282697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).