1-tert-butylcyclobutane-1-carboxylic acid

C9H16O2 — CID 59618756

IUPAC1-tert-butylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCC1
InChIInChI=1S/C9H16O2/c1-8(2,3)9(7(10)11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyCZLFDPZHKQNBLJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds1

About 1-tert-butylcyclobutane-1-carboxylic acid

1-tert-butylcyclobutane-1-carboxylic acid (PubChem CID 59618756) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-tert-butylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-tert-butylcyclobutane-1-carboxylic acid
PubChem CID59618756
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-tert-butylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCC1
InChIInChI=1S/C9H16O2/c1-8(2,3)9(7(10)11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyCZLFDPZHKQNBLJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-tert-butylcyclobutane-1-carboxylic acid (CID 59618756) is 1-tert-butylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-tert-butylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-tert-butylcyclobutane-1-carboxylic acid is CC(C)(C)C1(C(=O)O)CCC1.
What is the InChIKey of 1-tert-butylcyclobutane-1-carboxylic acid?
The InChIKey is CZLFDPZHKQNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2,3)9(7(10)11)5-4-6-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 1-tert-butylcyclobutane-1-carboxylic acid?
1-tert-butylcyclobutane-1-carboxylic acid has a molecular weight of 156.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 59618756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).