2,5-dimethyl-2-propan-2-ylcyclopentan-1-one

C10H18O — CID 12835446

IUPAC2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
SMILESCC1CCC(C)(C(C)C)C1=O
InChIInChI=1S/C10H18O/c1-7(2)10(4)6-5-8(3)9(10)11/h7-8H,5-6H2,1-4H3
InChIKeyIPOLFBRFHCNCJS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one

2,5-dimethyl-2-propan-2-ylcyclopentan-1-one (PubChem CID 12835446) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
PubChem CID12835446
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
SMILESCC1CCC(C)(C(C)C)C1=O
InChIInChI=1S/C10H18O/c1-7(2)10(4)6-5-8(3)9(10)11/h7-8H,5-6H2,1-4H3
InChIKeyIPOLFBRFHCNCJS-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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Related Compounds

3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
cis-(2R,5S,6Z)-6-[(4-bromophenyl)methylidene]-2,5-dimethyl-2-propan-2-ylcyclohexan-1-one
CID 92884037
(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
CID 97304979
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628
(2S,4S,6R)-2-[(1S)-1-hydroxyethyl]-2,4,6-trimethylcyclohexan-1-one
CID 130930693
2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
CID 175586261
2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 12870171
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
(1R,4S)-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 129386391
(1R,2R,6R,7R,8S,11R)-2,6,8-trihydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-ene-12,14-dione
CID 162915612
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one (CID 12835446) is 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one is CC1CCC(C)(C(C)C)C1=O.
What is the InChIKey of 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one?
The InChIKey is IPOLFBRFHCNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10(4)6-5-8(3)9(10)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one?
2,5-dimethyl-2-propan-2-ylcyclopentan-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 2,5-dimethyl-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 12835446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).