1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone

C10H18O — CID 45086010

IUPAC1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(C)CCCC1(C)C
InChIInChI=1S/C10H18O/c1-8(11)10(4)7-5-6-9(10,2)3/h5-7H2,1-4H3/t10-/m0/s1
InChIKeyTUPJGSPDSBPZTJ-JTQLQIEISA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds1

About 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone

1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone (PubChem CID 45086010) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
PubChem CID45086010
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(C)CCCC1(C)C
InChIInChI=1S/C10H18O/c1-8(11)10(4)7-5-6-9(10,2)3/h5-7H2,1-4H3/t10-/m0/s1
InChIKeyTUPJGSPDSBPZTJ-JTQLQIEISA-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-[(1R)-1,2,2-trimethylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone (CID 45086010) is 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone is CC(=O)[C@]1(C)CCCC1(C)C.
What is the InChIKey of 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone?
The InChIKey is TUPJGSPDSBPZTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O/c1-8(11)10(4)7-5-6-9(10,2)3/h5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone?
1-[(1R)-1,2,2-trimethylcyclopentyl]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-[(1R)-1,2,2-trimethylcyclopentyl]ethanone is sourced from PubChem (CID 45086010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).