2,3,14,15-tetramethylhexadecanedioic acid

C20H38O4 — CID 101494126

IUPAC2,3,14,15-tetramethylhexadecanedioic acid
SMILESCC(CCCCCCCCCCC(C)C(C)C(=O)O)C(C)C(=O)O
InChIInChI=1S/C20H38O4/c1-15(17(3)19(21)22)13-11-9-7-5-6-8-10-12-14-16(2)18(4)20(23)24/h15-18H,5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyUZJPUOOYAMZTFE-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.60
Rot. Bonds15

About 2,3,14,15-tetramethylhexadecanedioic acid

2,3,14,15-tetramethylhexadecanedioic acid (PubChem CID 101494126) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2,3,14,15-tetramethylhexadecanedioic acid.

Molecular Properties

Compound Name2,3,14,15-tetramethylhexadecanedioic acid
PubChem CID101494126
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2,3,14,15-tetramethylhexadecanedioic acid
SMILESCC(CCCCCCCCCCC(C)C(C)C(=O)O)C(C)C(=O)O
InChIInChI=1S/C20H38O4/c1-15(17(3)19(21)22)13-11-9-7-5-6-8-10-12-14-16(2)18(4)20(23)24/h15-18H,5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyUZJPUOOYAMZTFE-UHFFFAOYSA-N
XLogP5.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154
2,9,10-trimethyloctadecanoic acid
CID 14298664
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2,3,14,15-tetramethylhexadecanedioic acid?
The IUPAC name of 2,3,14,15-tetramethylhexadecanedioic acid (CID 101494126) is 2,3,14,15-tetramethylhexadecanedioic acid.
What is the SMILES notation for 2,3,14,15-tetramethylhexadecanedioic acid?
The canonical SMILES for 2,3,14,15-tetramethylhexadecanedioic acid is CC(CCCCCCCCCCC(C)C(C)C(=O)O)C(C)C(=O)O.
What is the InChIKey of 2,3,14,15-tetramethylhexadecanedioic acid?
The InChIKey is UZJPUOOYAMZTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-15(17(3)19(21)22)13-11-9-7-5-6-8-10-12-14-16(2)18(4)20(23)24/h15-18H,5-14H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2,3,14,15-tetramethylhexadecanedioic acid?
2,3,14,15-tetramethylhexadecanedioic acid has a molecular weight of 342.52 g/mol, XLogP of 5.60, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,14,15-tetramethylhexadecanedioic acid is sourced from PubChem (CID 101494126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).