2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid

C10H18O3 — CID 86775226

IUPAC2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
SMILESCC(C)(C)OC1CC(CC(=O)O)C1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyKKAYYILOIWIYOE-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.05
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid

2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid (PubChem CID 86775226) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
PubChem CID86775226
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
SMILESCC(C)(C)OC1CC(CC(=O)O)C1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyKKAYYILOIWIYOE-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid (CID 86775226) is 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid is CC(C)(C)OC1CC(CC(=O)O)C1.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid?
The InChIKey is KKAYYILOIWIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid is sourced from PubChem (CID 86775226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).