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

C14H22O — CID 164791099

IUPAC2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one
SMILESCC(C)(C)C=C1CC(=CC(C)(C)C)C1=O
InChIInChI=1S/C14H22O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h8-9H,7H2,1-6H3
InChIKeyXWZCQFFGGUICCL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds

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

2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one (PubChem CID 164791099) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one.

Molecular Properties

Compound Name2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one
PubChem CID164791099
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one
SMILESCC(C)(C)C=C1CC(=CC(C)(C)C)C1=O
InChIInChI=1S/C14H22O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h8-9H,7H2,1-6H3
InChIKeyXWZCQFFGGUICCL-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
CID 122452595
2,2-dimethylpropylidenecyclopentane
CID 55252750
(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one
CID 101262476
(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59915106
(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol
CID 58687885
1,2-di(ethylidene)cyclopropane
CID 123857340
(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane
CID 146324213
(7E)-7-(2,2-dimethylpropylidene)-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 118600706
(2Z,6E)-2,6-bis[(4-tert-butylphenyl)methylidene]-4-methylcyclohexan-1-one
CID 17370191
(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
CID 142101189
(4E)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxymethylidene]cyclopent-2-en-1-one
CID 15331769
3-(2,2-dimethylpropylidene)-2-benzofuran-1-one
CID 85401188

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one?
The IUPAC name of 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one (CID 164791099) is 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one.
What is the SMILES notation for 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one?
The canonical SMILES for 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one is CC(C)(C)C=C1CC(=CC(C)(C)C)C1=O.
What is the InChIKey of 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one?
The InChIKey is XWZCQFFGGUICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2,3)8-10-7-11(12(10)15)9-14(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of 2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one?
2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.90, 0 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-dimethylpropylidene)cyclobutan-1-one is sourced from PubChem (CID 164791099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).