2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one

C14H26O — CID 164791097

IUPAC2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
SMILESCC(C)(C)CC1CC(CC(C)(C)C)C1=O
InChIInChI=1S/C14H26O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyKJMMGETYRLAYOY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds2

About 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one

2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one (PubChem CID 164791097) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
PubChem CID164791097
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
SMILESCC(C)(C)CC1CC(CC(C)(C)C)C1=O
InChIInChI=1S/C14H26O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyKJMMGETYRLAYOY-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one?
The IUPAC name of 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one (CID 164791097) is 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one.
What is the SMILES notation for 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one?
The canonical SMILES for 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one is CC(C)(C)CC1CC(CC(C)(C)C)C1=O.
What is the InChIKey of 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one?
The InChIKey is KJMMGETYRLAYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one?
2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one is sourced from PubChem (CID 164791097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).