4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid

C11H22O5 — CID 106991570

IUPAC4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
SMILESCOCC(C)OCC(O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22O5/c1-8(6-15-4)16-7-9(12)5-11(2,3)10(13)14/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyLSEIVXLWKWPBTN-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.90
Rot. Bonds8

About 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid

4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid (PubChem CID 106991570) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
PubChem CID106991570
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
SMILESCOCC(C)OCC(O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22O5/c1-8(6-15-4)16-7-9(12)5-11(2,3)10(13)14/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyLSEIVXLWKWPBTN-UHFFFAOYSA-N
XLogP0.90
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid?
The IUPAC name of 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid (CID 106991570) is 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid?
The canonical SMILES for 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid is COCC(C)OCC(O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid?
The InChIKey is LSEIVXLWKWPBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-8(6-15-4)16-7-9(12)5-11(2,3)10(13)14/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid?
4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid has a molecular weight of 234.29 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 106991570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).