1-(1-bicyclo[2.2.2]octanyl)ethanone

C10H16O — CID 12675852

IUPAC1-(1-bicyclo[2.2.2]octanyl)ethanone
SMILESCC(=O)C12CCC(CC1)CC2
InChIInChI=1S/C10H16O/c1-8(11)10-5-2-9(3-6-10)4-7-10/h9H,2-7H2,1H3
InChIKeySIKYESMDPLYQRH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds1

About 1-(1-bicyclo[2.2.2]octanyl)ethanone

1-(1-bicyclo[2.2.2]octanyl)ethanone (PubChem CID 12675852) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.2]octanyl)ethanone.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.2]octanyl)ethanone
PubChem CID12675852
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(1-bicyclo[2.2.2]octanyl)ethanone
SMILESCC(=O)C12CCC(CC1)CC2
InChIInChI=1S/C10H16O/c1-8(11)10-5-2-9(3-6-10)4-7-10/h9H,2-7H2,1H3
InChIKeySIKYESMDPLYQRH-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)ethanone?
The IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)ethanone (CID 12675852) is 1-(1-bicyclo[2.2.2]octanyl)ethanone.
What is the SMILES notation for 1-(1-bicyclo[2.2.2]octanyl)ethanone?
The canonical SMILES for 1-(1-bicyclo[2.2.2]octanyl)ethanone is CC(=O)C12CCC(CC1)CC2.
What is the InChIKey of 1-(1-bicyclo[2.2.2]octanyl)ethanone?
The InChIKey is SIKYESMDPLYQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(11)10-5-2-9(3-6-10)4-7-10/h9H,2-7H2,1H3.
What are the key properties of 1-(1-bicyclo[2.2.2]octanyl)ethanone?
1-(1-bicyclo[2.2.2]octanyl)ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.2]octanyl)ethanone is sourced from PubChem (CID 12675852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).