2-tert-butylcyclobutan-1-one

C8H14O — CID 20713

IUPAC2-tert-butylcyclobutan-1-one
SMILESCC(C)(C)C1CCC1=O
InChIInChI=1S/C8H14O/c1-8(2,3)6-4-5-7(6)9/h6H,4-5H2,1-3H3
InChIKeyRBVZGIAAMVLZAZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds

About 2-tert-butylcyclobutan-1-one

2-tert-butylcyclobutan-1-one (PubChem CID 20713) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-tert-butylcyclobutan-1-one.

Molecular Properties

Compound Name2-tert-butylcyclobutan-1-one
PubChem CID20713
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-tert-butylcyclobutan-1-one
SMILESCC(C)(C)C1CCC1=O
InChIInChI=1S/C8H14O/c1-8(2,3)6-4-5-7(6)9/h6H,4-5H2,1-3H3
InChIKeyRBVZGIAAMVLZAZ-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclobutan-1-one?
The IUPAC name of 2-tert-butylcyclobutan-1-one (CID 20713) is 2-tert-butylcyclobutan-1-one.
What is the SMILES notation for 2-tert-butylcyclobutan-1-one?
The canonical SMILES for 2-tert-butylcyclobutan-1-one is CC(C)(C)C1CCC1=O.
What is the InChIKey of 2-tert-butylcyclobutan-1-one?
The InChIKey is RBVZGIAAMVLZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2,3)6-4-5-7(6)9/h6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butylcyclobutan-1-one?
2-tert-butylcyclobutan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclobutan-1-one is sourced from PubChem (CID 20713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).