3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid

C10H20O3 — CID 59170384

IUPAC3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-9(2,3)7(8(11)12)13-10(4,5)6/h7H,1-6H3,(H,11,12)
InChIKeyOADAPUJHLBFGOF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds2

About 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid

3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 59170384) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID59170384
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-9(2,3)7(8(11)12)13-10(4,5)6/h7H,1-6H3,(H,11,12)
InChIKeyOADAPUJHLBFGOF-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 59170384) is 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is OADAPUJHLBFGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,3)7(8(11)12)13-10(4,5)6/h7H,1-6H3,(H,11,12).
What are the key properties of 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid?
3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 59170384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).