3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione

C14H22O3Si — CID 14562991

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(OC(C)(C)C)C(=O)C=C([Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-9-12(16)11(18(5,6)7)8-10(15)13(9)17-14(2,3)4/h8H,1-7H3
InChIKeyDTQUZHRPFSVCQG-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.03
Rot. Bonds2

About 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione

3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione (PubChem CID 14562991) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
PubChem CID14562991
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(OC(C)(C)C)C(=O)C=C([Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-9-12(16)11(18(5,6)7)8-10(15)13(9)17-14(2,3)4/h8H,1-7H3
InChIKeyDTQUZHRPFSVCQG-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione (CID 14562991) is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione is CC1=C(OC(C)(C)C)C(=O)C=C([Si](C)(C)C)C1=O.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is DTQUZHRPFSVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-9-12(16)11(18(5,6)7)8-10(15)13(9)17-14(2,3)4/h8H,1-7H3.
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 266.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 14562991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).