2,4,4,5,5-pentamethylcyclopentane-1,3-dione

C10H16O2 — CID 20686650

IUPAC2,4,4,5,5-pentamethylcyclopentane-1,3-dione
SMILESCC1C(=O)C(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H16O2/c1-6-7(11)9(2,3)10(4,5)8(6)12/h6H,1-5H3
InChIKeyCTWMMEOFIRFOLM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds

About 2,4,4,5,5-pentamethylcyclopentane-1,3-dione

2,4,4,5,5-pentamethylcyclopentane-1,3-dione (PubChem CID 20686650) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2,4,4,5,5-pentamethylcyclopentane-1,3-dione
PubChem CID20686650
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,4,4,5,5-pentamethylcyclopentane-1,3-dione
SMILESCC1C(=O)C(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H16O2/c1-6-7(11)9(2,3)10(4,5)8(6)12/h6H,1-5H3
InChIKeyCTWMMEOFIRFOLM-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,4,4,5,5,6,6-heptamethylcyclohexane-1,3-dione;bis(3-hydroxy-2,4,4,5,5,6,6-heptamethylcyclohex-2-en-1-one);molecular iodine
CID 162152082
2,2,3,3,5-pentamethylcyclopentan-1-one
CID 86146438
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
3,5,5-trimethylpiperidine-2,4-dione
CID 83815448
2,2,6-trimethyl-5-methylidenecyclohexane-1,4-dione
CID 135170604
3,3,5-trimethyloxolane-2,4-dione
CID 13439661
1,3,3,5-tetramethylpyrrolidine-2,4-dione
CID 175274212
2,2,4,5-tetramethylcyclopentan-1-one
CID 13492787
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
2-acetyl-4,4,5,5,6,6-hexamethylcyclohexane-1,3-dione
CID 20686651
3,4,5,5,6,6-hexamethylpyran-2-one
CID 58307846

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethylcyclopentane-1,3-dione?
The IUPAC name of 2,4,4,5,5-pentamethylcyclopentane-1,3-dione (CID 20686650) is 2,4,4,5,5-pentamethylcyclopentane-1,3-dione.
What is the SMILES notation for 2,4,4,5,5-pentamethylcyclopentane-1,3-dione?
The canonical SMILES for 2,4,4,5,5-pentamethylcyclopentane-1,3-dione is CC1C(=O)C(C)(C)C(C)(C)C1=O.
What is the InChIKey of 2,4,4,5,5-pentamethylcyclopentane-1,3-dione?
The InChIKey is CTWMMEOFIRFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7(11)9(2,3)10(4,5)8(6)12/h6H,1-5H3.
What are the key properties of 2,4,4,5,5-pentamethylcyclopentane-1,3-dione?
2,4,4,5,5-pentamethylcyclopentane-1,3-dione has a molecular weight of 168.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethylcyclopentane-1,3-dione is sourced from PubChem (CID 20686650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).