6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one

C14H18O3 — CID 75166531

IUPAC6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
SMILESCC1CC(OC2C=CC(=O)C(C)C2)C=CC1=O
InChIInChI=1S/C14H18O3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-6,9-12H,7-8H2,1-2H3
InChIKeyAJRXCMFONRLPJH-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.07
Rot. Bonds2

About 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one

6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one (PubChem CID 75166531) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
PubChem CID75166531
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
SMILESCC1CC(OC2C=CC(=O)C(C)C2)C=CC1=O
InChIInChI=1S/C14H18O3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-6,9-12H,7-8H2,1-2H3
InChIKeyAJRXCMFONRLPJH-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one?
The IUPAC name of 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one (CID 75166531) is 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one is CC1CC(OC2C=CC(=O)C(C)C2)C=CC1=O.
What is the InChIKey of 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one?
The InChIKey is AJRXCMFONRLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one?
6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one is sourced from PubChem (CID 75166531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).