6-ethylbicyclo[4.2.0]octan-2-one

C10H16O — CID 130036678

IUPAC6-ethylbicyclo[4.2.0]octan-2-one
SMILESCCC12CCCC(=O)C1CC2
InChIInChI=1S/C10H16O/c1-2-10-6-3-4-9(11)8(10)5-7-10/h8H,2-7H2,1H3
InChIKeyIVTANCOUMALGRW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds1

About 6-ethylbicyclo[4.2.0]octan-2-one

6-ethylbicyclo[4.2.0]octan-2-one (PubChem CID 130036678) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-ethylbicyclo[4.2.0]octan-2-one.

Molecular Properties

Compound Name6-ethylbicyclo[4.2.0]octan-2-one
PubChem CID130036678
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-ethylbicyclo[4.2.0]octan-2-one
SMILESCCC12CCCC(=O)C1CC2
InChIInChI=1S/C10H16O/c1-2-10-6-3-4-9(11)8(10)5-7-10/h8H,2-7H2,1H3
InChIKeyIVTANCOUMALGRW-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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Related Compounds

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3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
CID 138972637
(7aR)-1-butan-2-yl-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58846976
(8aR)-4a-ethyl-2,8,8-trimethyl-2,3,4,5,6,8a-hexahydrochromen-7-one
CID 135272616
tert-butyl N-[[(1S,5R)-4-oxo-1-bicyclo[3.2.0]heptanyl]methyl]carbamate
CID 154814445
1-ethylbicyclo[2.2.0]hexane
CID 90977886
(3aR,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 59084008
1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;ethane
CID 142927693
(5S)-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 143298667
(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
CID 139078634
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180

Frequently Asked Questions

What is the IUPAC name of 6-ethylbicyclo[4.2.0]octan-2-one?
The IUPAC name of 6-ethylbicyclo[4.2.0]octan-2-one (CID 130036678) is 6-ethylbicyclo[4.2.0]octan-2-one.
What is the SMILES notation for 6-ethylbicyclo[4.2.0]octan-2-one?
The canonical SMILES for 6-ethylbicyclo[4.2.0]octan-2-one is CCC12CCCC(=O)C1CC2.
What is the InChIKey of 6-ethylbicyclo[4.2.0]octan-2-one?
The InChIKey is IVTANCOUMALGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-10-6-3-4-9(11)8(10)5-7-10/h8H,2-7H2,1H3.
What are the key properties of 6-ethylbicyclo[4.2.0]octan-2-one?
6-ethylbicyclo[4.2.0]octan-2-one 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 6-ethylbicyclo[4.2.0]octan-2-one is sourced from PubChem (CID 130036678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).