2,2,4,4-tetramethylhexanedioic acid

C10H18O4 — CID 15304974

IUPAC2,2,4,4-tetramethylhexanedioic acid
SMILESCC(C)(CC(=O)O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18O4/c1-9(2,5-7(11)12)6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyQMBXZRDJYFMVIH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.99
Rot. Bonds5

About 2,2,4,4-tetramethylhexanedioic acid

2,2,4,4-tetramethylhexanedioic acid (PubChem CID 15304974) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,2,4,4-tetramethylhexanedioic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethylhexanedioic acid
PubChem CID15304974
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2,2,4,4-tetramethylhexanedioic acid
SMILESCC(C)(CC(=O)O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18O4/c1-9(2,5-7(11)12)6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyQMBXZRDJYFMVIH-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylhexanedioic acid?
The IUPAC name of 2,2,4,4-tetramethylhexanedioic acid (CID 15304974) is 2,2,4,4-tetramethylhexanedioic acid.
What is the SMILES notation for 2,2,4,4-tetramethylhexanedioic acid?
The canonical SMILES for 2,2,4,4-tetramethylhexanedioic acid is CC(C)(CC(=O)O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethylhexanedioic acid?
The InChIKey is QMBXZRDJYFMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,5-7(11)12)6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2,2,4,4-tetramethylhexanedioic acid?
2,2,4,4-tetramethylhexanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylhexanedioic acid is sourced from PubChem (CID 15304974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).