3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H18O3 — CID 548046

IUPAC3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(C)(O)CC1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H18O3/c1-9(2,13)5-6-7(8(11)12)10(6,3)4/h6-7,13H,5H2,1-4H3,(H,11,12)
InChIKeyYFMRCDOGWGYUGF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 548046) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID548046
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(C)(O)CC1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H18O3/c1-9(2,13)5-6-7(8(11)12)10(6,3)4/h6-7,13H,5H2,1-4H3,(H,11,12)
InChIKeyYFMRCDOGWGYUGF-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 548046) is 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC(C)(O)CC1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YFMRCDOGWGYUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,13)5-6-7(8(11)12)10(6,3)4/h6-7,13H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 548046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).