cyclopropanol;2-methylpropanoic acid

C7H14O3 — CID 174792699

IUPACcyclopropanol;2-methylpropanoic acid
SMILESCC(C)C(=O)O.OC1CC1
InChIInChI=1S/C4H8O2.C3H6O/c1-3(2)4(5)6;4-3-1-2-3/h3H,1-2H3,(H,5,6);3-4H,1-2H2
InChIKeyYLGSDIJXXXQJBD-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds1

About cyclopropanol;2-methylpropanoic acid

cyclopropanol;2-methylpropanoic acid (PubChem CID 174792699) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is cyclopropanol;2-methylpropanoic acid.

Molecular Properties

Compound Namecyclopropanol;2-methylpropanoic acid
PubChem CID174792699
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namecyclopropanol;2-methylpropanoic acid
SMILESCC(C)C(=O)O.OC1CC1
InChIInChI=1S/C4H8O2.C3H6O/c1-3(2)4(5)6;4-3-1-2-3/h3H,1-2H3,(H,5,6);3-4H,1-2H2
InChIKeyYLGSDIJXXXQJBD-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanol;2-methylpropanoic acid?
The IUPAC name of cyclopropanol;2-methylpropanoic acid (CID 174792699) is cyclopropanol;2-methylpropanoic acid.
What is the SMILES notation for cyclopropanol;2-methylpropanoic acid?
The canonical SMILES for cyclopropanol;2-methylpropanoic acid is CC(C)C(=O)O.OC1CC1.
What is the InChIKey of cyclopropanol;2-methylpropanoic acid?
The InChIKey is YLGSDIJXXXQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O/c1-3(2)4(5)6;4-3-1-2-3/h3H,1-2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of cyclopropanol;2-methylpropanoic acid?
cyclopropanol;2-methylpropanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanol;2-methylpropanoic acid is sourced from PubChem (CID 174792699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).