5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione

C14H14O2 — CID 174860981

IUPAC5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione
SMILESCC1C(=O)C=CC(=O)C1(C)c1ccccc1
InChIInChI=1S/C14H14O2/c1-10-12(15)8-9-13(16)14(10,2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyWSQPQAXZZOTZFL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.29
Rot. Bonds1

About 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione

5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione (PubChem CID 174860981) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione
PubChem CID174860981
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione
SMILESCC1C(=O)C=CC(=O)C1(C)c1ccccc1
InChIInChI=1S/C14H14O2/c1-10-12(15)8-9-13(16)14(10,2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyWSQPQAXZZOTZFL-UHFFFAOYSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione?
The IUPAC name of 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione (CID 174860981) is 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione is CC1C(=O)C=CC(=O)C1(C)c1ccccc1.
What is the InChIKey of 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione?
The InChIKey is WSQPQAXZZOTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-12(15)8-9-13(16)14(10,2)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione?
5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione has a molecular weight of 214.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 174860981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).