1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one

C10H18O — CID 15649137

IUPAC1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC1(C)C
InChIInChI=1S/C10H18O/c1-9(2,3)8(11)7-6-10(7,4)5/h7H,6H2,1-5H3
InChIKeyDJXVYBBSZBQDJO-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one

1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one (PubChem CID 15649137) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one
PubChem CID15649137
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC1(C)C
InChIInChI=1S/C10H18O/c1-9(2,3)8(11)7-6-10(7,4)5/h7H,6H2,1-5H3
InChIKeyDJXVYBBSZBQDJO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one (CID 15649137) is 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one?
The InChIKey is DJXVYBBSZBQDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2,3)8(11)7-6-10(7,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one?
1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 15649137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).