6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid

C11H22O4 — CID 59497054

IUPAC6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(COCO)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,5-9(13)14)6-11(3,4)7-15-8-12/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyRFUIQGHAZRXHGR-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.87
Rot. Bonds7

About 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid

6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid (PubChem CID 59497054) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Name6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
PubChem CID59497054
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(COCO)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H22O4/c1-10(2,5-9(13)14)6-11(3,4)7-15-8-12/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyRFUIQGHAZRXHGR-UHFFFAOYSA-N
XLogP1.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid?
The IUPAC name of 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid (CID 59497054) is 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid.
What is the SMILES notation for 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid?
The canonical SMILES for 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid is CC(C)(COCO)CC(C)(C)CC(=O)O.
What is the InChIKey of 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid?
The InChIKey is RFUIQGHAZRXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-10(2,5-9(13)14)6-11(3,4)7-15-8-12/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid?
6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 59497054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).