5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione

C15H22O2 — CID 162886185

IUPAC5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione
SMILESCC1CC(=O)C(C2(C)CCCC2(C)C)=CC1=O
InChIInChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h9-10H,5-8H2,1-4H3
InChIKeyVMJFMEPSANWZNT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds1

About 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione

5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione (PubChem CID 162886185) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione
PubChem CID162886185
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione
SMILESCC1CC(=O)C(C2(C)CCCC2(C)C)=CC1=O
InChIInChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h9-10H,5-8H2,1-4H3
InChIKeyVMJFMEPSANWZNT-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione?
The IUPAC name of 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione (CID 162886185) is 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione is CC1CC(=O)C(C2(C)CCCC2(C)C)=CC1=O.
What is the InChIKey of 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione?
The InChIKey is VMJFMEPSANWZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione?
5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione has a molecular weight of 234.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2,2-trimethylcyclopentyl)cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 162886185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).