1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid

C12H22O2 — CID 91065201

IUPAC1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H22O2/c1-6-11(5)8-12(11,9(13)14)7-10(2,3)4/h6-8H2,1-5H3,(H,13,14)
InChIKeyIJGGBTFAZJUUGR-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid

1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid (PubChem CID 91065201) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
PubChem CID91065201
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H22O2/c1-6-11(5)8-12(11,9(13)14)7-10(2,3)4/h6-8H2,1-5H3,(H,13,14)
InChIKeyIJGGBTFAZJUUGR-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid (CID 91065201) is 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid is CCC1(C)CC1(CC(C)(C)C)C(=O)O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is IJGGBTFAZJUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-11(5)8-12(11,9(13)14)7-10(2,3)4/h6-8H2,1-5H3,(H,13,14).
What are the key properties of 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 198.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 91065201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).