1-(1-tert-butylcyclobutyl)ethanone

C10H18O — CID 58530463

IUPAC1-(1-tert-butylcyclobutyl)ethanone
SMILESCC(=O)C1(C(C)(C)C)CCC1
InChIInChI=1S/C10H18O/c1-8(11)10(6-5-7-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyZKOWXXNSBMIKQU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds1

About 1-(1-tert-butylcyclobutyl)ethanone

1-(1-tert-butylcyclobutyl)ethanone (PubChem CID 58530463) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(1-tert-butylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butylcyclobutyl)ethanone
PubChem CID58530463
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(1-tert-butylcyclobutyl)ethanone
SMILESCC(=O)C1(C(C)(C)C)CCC1
InChIInChI=1S/C10H18O/c1-8(11)10(6-5-7-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyZKOWXXNSBMIKQU-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylcyclobutyl)ethanone?
The IUPAC name of 1-(1-tert-butylcyclobutyl)ethanone (CID 58530463) is 1-(1-tert-butylcyclobutyl)ethanone.
What is the SMILES notation for 1-(1-tert-butylcyclobutyl)ethanone?
The canonical SMILES for 1-(1-tert-butylcyclobutyl)ethanone is CC(=O)C1(C(C)(C)C)CCC1.
What is the InChIKey of 1-(1-tert-butylcyclobutyl)ethanone?
The InChIKey is ZKOWXXNSBMIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(11)10(6-5-7-10)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-(1-tert-butylcyclobutyl)ethanone?
1-(1-tert-butylcyclobutyl)ethanone has a molecular weight of 154.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylcyclobutyl)ethanone is sourced from PubChem (CID 58530463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).