6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one

C12H18O2 — CID 91451449

IUPAC6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
SMILESCC(C)(C)OC1=CC(C)(C)C(=O)C=C1
InChIInChI=1S/C12H18O2/c1-11(2,3)14-9-6-7-10(13)12(4,5)8-9/h6-8H,1-5H3
InChIKeyRBDRQXAWRANVAB-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds1

About 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one

6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one (PubChem CID 91451449) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
PubChem CID91451449
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
SMILESCC(C)(C)OC1=CC(C)(C)C(=O)C=C1
InChIInChI=1S/C12H18O2/c1-11(2,3)14-9-6-7-10(13)12(4,5)8-9/h6-8H,1-5H3
InChIKeyRBDRQXAWRANVAB-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one (CID 91451449) is 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one is CC(C)(C)OC1=CC(C)(C)C(=O)C=C1.
What is the InChIKey of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The InChIKey is RBDRQXAWRANVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2,3)14-9-6-7-10(13)12(4,5)8-9/h6-8H,1-5H3.
What are the key properties of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 91451449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).