1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one

C17H28O2 — CID 129041054

IUPAC1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C12CCC(C(=O)C(C)(C)C)(CC1)C2
InChIInChI=1S/C17H28O2/c1-14(2,3)12(18)16-7-9-17(11-16,10-8-16)13(19)15(4,5)6/h7-11H2,1-6H3
InChIKeyBFFWWYRZGIIFDW-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.17
Rot. Bonds2

About 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one

1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one (PubChem CID 129041054) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one
PubChem CID129041054
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C12CCC(C(=O)C(C)(C)C)(CC1)C2
InChIInChI=1S/C17H28O2/c1-14(2,3)12(18)16-7-9-17(11-16,10-8-16)13(19)15(4,5)6/h7-11H2,1-6H3
InChIKeyBFFWWYRZGIIFDW-UHFFFAOYSA-N
XLogP4.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one (CID 129041054) is 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C12CCC(C(=O)C(C)(C)C)(CC1)C2.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one?
The InChIKey is BFFWWYRZGIIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-14(2,3)12(18)16-7-9-17(11-16,10-8-16)13(19)15(4,5)6/h7-11H2,1-6H3.
What are the key properties of 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one?
1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one has a molecular weight of 264.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 129041054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).