2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid

C15H32O5 — CID 159259750

IUPAC2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(O)C(C)(C)C(=O)O.CC(C)(CO)CO
InChIInChI=1S/C10H20O3.C5H12O2/c1-9(2,3)6-7(11)10(4,5)8(12)13;1-5(2,3-6)4-7/h7,11H,6H2,1-5H3,(H,12,13);6-7H,3-4H2,1-2H3
InChIKeyKWIVILRSNXIJOX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.89
Rot. Bonds5

About 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid

2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid (PubChem CID 159259750) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Name2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid
PubChem CID159259750
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(O)C(C)(C)C(=O)O.CC(C)(CO)CO
InChIInChI=1S/C10H20O3.C5H12O2/c1-9(2,3)6-7(11)10(4,5)8(12)13;1-5(2,3-6)4-7/h7,11H,6H2,1-5H3,(H,12,13);6-7H,3-4H2,1-2H3
InChIKeyKWIVILRSNXIJOX-UHFFFAOYSA-N
XLogP1.89
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid?
The IUPAC name of 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid (CID 159259750) is 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid.
What is the SMILES notation for 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid?
The canonical SMILES for 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid is CC(C)(C)CC(O)C(C)(C)C(=O)O.CC(C)(CO)CO.
What is the InChIKey of 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid?
The InChIKey is KWIVILRSNXIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.C5H12O2/c1-9(2,3)6-7(11)10(4,5)8(12)13;1-5(2,3-6)4-7/h7,11H,6H2,1-5H3,(H,12,13);6-7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid?
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid has a molecular weight of 292.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 159259750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).