2-methyl-2-(oxan-2-yl)propanoic acid

C9H16O3 — CID 84717449

IUPAC2-methyl-2-(oxan-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCCO1
InChIInChI=1S/C9H16O3/c1-9(2,8(10)11)7-5-3-4-6-12-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyQWPDACDUJRITCX-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.67
Rot. Bonds2

About 2-methyl-2-(oxan-2-yl)propanoic acid

2-methyl-2-(oxan-2-yl)propanoic acid (PubChem CID 84717449) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methyl-2-(oxan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxan-2-yl)propanoic acid
PubChem CID84717449
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methyl-2-(oxan-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCCO1
InChIInChI=1S/C9H16O3/c1-9(2,8(10)11)7-5-3-4-6-12-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyQWPDACDUJRITCX-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(oxan-2-yl)propanoic acid (CID 84717449) is 2-methyl-2-(oxan-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(oxan-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(oxan-2-yl)propanoic acid is CC(C)(C(=O)O)C1CCCCO1.
What is the InChIKey of 2-methyl-2-(oxan-2-yl)propanoic acid?
The InChIKey is QWPDACDUJRITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2,8(10)11)7-5-3-4-6-12-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-(oxan-2-yl)propanoic acid?
2-methyl-2-(oxan-2-yl)propanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-2-yl)propanoic acid is sourced from PubChem (CID 84717449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).