2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid

C8H14O2 — CID 62388317

IUPAC2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(C)CC1C(=O)O
InChIInChI=1S/C8H14O2/c1-5(2)8(3)4-6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyKUYXBNIFEDSVEP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid

2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 62388317) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID62388317
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(C)CC1C(=O)O
InChIInChI=1S/C8H14O2/c1-5(2)8(3)4-6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyKUYXBNIFEDSVEP-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 62388317) is 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1(C)CC1C(=O)O.
What is the InChIKey of 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is KUYXBNIFEDSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)8(3)4-6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 62388317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).