2-propan-2-ylcyclobutan-1-one

C7H12O — CID 11297947

IUPAC2-propan-2-ylcyclobutan-1-one
SMILESCC(C)C1CCC1=O
InChIInChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h5-6H,3-4H2,1-2H3
InChIKeySHZQRYVAUCNNAV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.62
Rot. Bonds1

About 2-propan-2-ylcyclobutan-1-one

2-propan-2-ylcyclobutan-1-one (PubChem CID 11297947) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-propan-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name2-propan-2-ylcyclobutan-1-one
PubChem CID11297947
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-propan-2-ylcyclobutan-1-one
SMILESCC(C)C1CCC1=O
InChIInChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h5-6H,3-4H2,1-2H3
InChIKeySHZQRYVAUCNNAV-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylcyclobutan-1-one?
The IUPAC name of 2-propan-2-ylcyclobutan-1-one (CID 11297947) is 2-propan-2-ylcyclobutan-1-one.
What is the SMILES notation for 2-propan-2-ylcyclobutan-1-one?
The canonical SMILES for 2-propan-2-ylcyclobutan-1-one is CC(C)C1CCC1=O.
What is the InChIKey of 2-propan-2-ylcyclobutan-1-one?
The InChIKey is SHZQRYVAUCNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylcyclobutan-1-one?
2-propan-2-ylcyclobutan-1-one has a molecular weight of 112.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclobutan-1-one is sourced from PubChem (CID 11297947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).