3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid

C10H20O4 — CID 66234015

IUPAC3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(C)CCOCC(C)(O)C(=O)O
InChIInChI=1S/C10H20O4/c1-9(2,3)5-6-14-7-10(4,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyQWHGRNRGJPOZPF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds5

About 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid

3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66234015) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
PubChem CID66234015
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(C)CCOCC(C)(O)C(=O)O
InChIInChI=1S/C10H20O4/c1-9(2,3)5-6-14-7-10(4,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyQWHGRNRGJPOZPF-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-5,5-dimethylhexan-3-one
CID 176880291
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid (CID 66234015) is 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid is CC(C)(C)CCOCC(C)(O)C(=O)O.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is QWHGRNRGJPOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)5-6-14-7-10(4,13)8(11)12/h13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid?
3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66234015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).