2,2,3,3,5-pentamethylcyclopentan-1-one

C10H18O — CID 86146438

IUPAC2,2,3,3,5-pentamethylcyclopentan-1-one
SMILESCC1CC(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H18O/c1-7-6-9(2,3)10(4,5)8(7)11/h7H,6H2,1-5H3
InChIKeyRCJJSQPGYWQCLB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds

About 2,2,3,3,5-pentamethylcyclopentan-1-one

2,2,3,3,5-pentamethylcyclopentan-1-one (PubChem CID 86146438) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2,3,3,5-pentamethylcyclopentan-1-one.

Molecular Properties

Compound Name2,2,3,3,5-pentamethylcyclopentan-1-one
PubChem CID86146438
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2,3,3,5-pentamethylcyclopentan-1-one
SMILESCC1CC(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H18O/c1-7-6-9(2,3)10(4,5)8(7)11/h7H,6H2,1-5H3
InChIKeyRCJJSQPGYWQCLB-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121
2,4,4,5,5-pentamethylcyclopentane-1,3-dione
CID 20686650
1,3,5,5-tetramethylpyrrolidin-2-one
CID 58984178
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
2,2,4,5-tetramethylcyclopentan-1-one
CID 13492787
(6R)-2,2,6-trimethylcyclohexane-1,4-dione
CID 10176229
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181
1,4,4-trimethylbicyclo[4.1.0]heptane-2,5-dione
CID 12640427
(1S,5R,7S)-1,3,3,7-tetramethylbicyclo[3.3.1]nonane-2,6,9-trione
CID 139203030
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
(2S,4S,6R)-2-[(1S)-1-hydroxyethyl]-2,4,6-trimethylcyclohexan-1-one
CID 130930693
1,3,3,5-tetramethylpyrrolidine-2,4-dione
CID 175274212

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentamethylcyclopentan-1-one?
The IUPAC name of 2,2,3,3,5-pentamethylcyclopentan-1-one (CID 86146438) is 2,2,3,3,5-pentamethylcyclopentan-1-one.
What is the SMILES notation for 2,2,3,3,5-pentamethylcyclopentan-1-one?
The canonical SMILES for 2,2,3,3,5-pentamethylcyclopentan-1-one is CC1CC(C)(C)C(C)(C)C1=O.
What is the InChIKey of 2,2,3,3,5-pentamethylcyclopentan-1-one?
The InChIKey is RCJJSQPGYWQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-6-9(2,3)10(4,5)8(7)11/h7H,6H2,1-5H3.
What are the key properties of 2,2,3,3,5-pentamethylcyclopentan-1-one?
2,2,3,3,5-pentamethylcyclopentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentamethylcyclopentan-1-one is sourced from PubChem (CID 86146438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).