2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid

C10H20O5 — CID 106664715

IUPAC2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
SMILESCOC(C)(C)CCOCC(C)(O)C(=O)O
InChIInChI=1S/C10H20O5/c1-9(2,14-4)5-6-15-7-10(3,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyOYXMSHQDFBMQOW-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.65
Rot. Bonds7

About 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid

2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid (PubChem CID 106664715) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
PubChem CID106664715
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
SMILESCOC(C)(C)CCOCC(C)(O)C(=O)O
InChIInChI=1S/C10H20O5/c1-9(2,14-4)5-6-15-7-10(3,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyOYXMSHQDFBMQOW-UHFFFAOYSA-N
XLogP0.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
CID 66234015
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
3-[3-(2-methoxy-2-methylpropoxy)-3-methylbutoxy]propanoic acid
CID 130253425
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid (CID 106664715) is 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid is COC(C)(C)CCOCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid?
The InChIKey is OYXMSHQDFBMQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-9(2,14-4)5-6-15-7-10(3,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid?
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid has a molecular weight of 220.26 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid is sourced from PubChem (CID 106664715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).