5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one

C15H19F3O2 — CID 146557357

IUPAC5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1C(=O)C=C(C(F)(F)F)C=C1OCC1CCCCC1
InChIInChI=1S/C15H19F3O2/c1-10-13(19)7-12(15(16,17)18)8-14(10)20-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeyPZQHMGMEDMQEAC-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.17
Rot. Bonds3

About 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one

5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one (PubChem CID 146557357) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
PubChem CID146557357
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1C(=O)C=C(C(F)(F)F)C=C1OCC1CCCCC1
InChIInChI=1S/C15H19F3O2/c1-10-13(19)7-12(15(16,17)18)8-14(10)20-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeyPZQHMGMEDMQEAC-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one (CID 146557357) is 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one is CC1C(=O)C=C(C(F)(F)F)C=C1OCC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is PZQHMGMEDMQEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-10-13(19)7-12(15(16,17)18)8-14(10)20-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 288.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 146557357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).