6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid

C11H20O5 — CID 88734161

IUPAC6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid
SMILESCC(CCC(=O)O)C(C)(C)C(=O)OCCO
InChIInChI=1S/C11H20O5/c1-8(4-5-9(13)14)11(2,3)10(15)16-7-6-12/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMYQDNEUGFKDOMP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.05
Rot. Bonds7

About 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid

6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid (PubChem CID 88734161) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid
PubChem CID88734161
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid
SMILESCC(CCC(=O)O)C(C)(C)C(=O)OCCO
InChIInChI=1S/C11H20O5/c1-8(4-5-9(13)14)11(2,3)10(15)16-7-6-12/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMYQDNEUGFKDOMP-UHFFFAOYSA-N
XLogP1.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azane;2,2,3-trimethylhexanedioic acid
CID 175059163
6-O-decyl 1-O-dodecyl 2,2,3-trimethylhexanedioate
CID 3023049
2-(hydroxymethyl)-2,3-dimethylhexanedioic acid
CID 91573436
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 15186645
5-chlorosilyl-6-methoxy-4,5-dimethyl-6-oxohexanoic acid
CID 131727835
3-tert-butyl-6-(2-hydroxyethoxy)-6-oxohexanoic acid
CID 164741841
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
2-aminopentanedioic acid;2-methoxyethanol
CID 87638899
5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
CID 22900782
2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid
CID 164747172

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid?
The IUPAC name of 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid (CID 88734161) is 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid.
What is the SMILES notation for 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid?
The canonical SMILES for 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid is CC(CCC(=O)O)C(C)(C)C(=O)OCCO.
What is the InChIKey of 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid?
The InChIKey is MYQDNEUGFKDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-8(4-5-9(13)14)11(2,3)10(15)16-7-6-12/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid?
6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid is sourced from PubChem (CID 88734161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).