1-tert-butylcyclopropane-1-carboxylic acid

C8H14O2 — CID 55301234

IUPAC1-tert-butylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H14O2/c1-7(2,3)8(4-5-8)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyGQSUPWSDDZUJNN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds1

About 1-tert-butylcyclopropane-1-carboxylic acid

1-tert-butylcyclopropane-1-carboxylic acid (PubChem CID 55301234) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-tert-butylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-tert-butylcyclopropane-1-carboxylic acid
PubChem CID55301234
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-tert-butylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H14O2/c1-7(2,3)8(4-5-8)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyGQSUPWSDDZUJNN-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-tert-butylcyclopropane-1-carboxylic acid (CID 55301234) is 1-tert-butylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-tert-butylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-tert-butylcyclopropane-1-carboxylic acid is CC(C)(C)C1(C(=O)O)CC1.
What is the InChIKey of 1-tert-butylcyclopropane-1-carboxylic acid?
The InChIKey is GQSUPWSDDZUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2,3)8(4-5-8)6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 1-tert-butylcyclopropane-1-carboxylic acid?
1-tert-butylcyclopropane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 55301234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).