5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one

C22H32O3Si — CID 10690701

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(OC)C=CC(=O)CC1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H32O3Si/c1-16(2)22(24-6)14-13-18(23)15-20(22)17-9-11-19(12-10-17)25-26(7,8)21(3,4)5/h9-14,20H,1,15H2,2-8H3
InChIKeyINESUVDFZKRKNM-UHFFFAOYSA-N
MW372.58 g/mol
LogP5.64
Rot. Bonds5

About 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one

5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 10690701) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID10690701
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(OC)C=CC(=O)CC1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H32O3Si/c1-16(2)22(24-6)14-13-18(23)15-20(22)17-9-11-19(12-10-17)25-26(7,8)21(3,4)5/h9-14,20H,1,15H2,2-8H3
InChIKeyINESUVDFZKRKNM-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 11221261
7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
CID 167488490
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxo-1,2-dihydroindene-2-carboxylic acid
CID 70120423
bis(2,2,2-trifluoroethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71580250
(4R,6S)-4-buta-2,3-dien-2-yl-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxy-6-methoxy-2,3-dimethylcyclohex-2-en-1-one
CID 50922805
tert-butyl-dimethyl-[4-(2-methylprop-2-enoxymethyl)phenoxy]silane
CID 10517786
bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579657
1-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1H-phthalazin-2-yl]prop-2-en-1-one
CID 70002573
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
CID 134967649
7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963
tert-butyl (1R,6R)-1-acetyl-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 101156618
bis(2-propan-2-yloxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579848

Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one (CID 10690701) is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1(OC)C=CC(=O)CC1c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is INESUVDFZKRKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-16(2)22(24-6)14-13-18(23)15-20(22)17-9-11-19(12-10-17)25-26(7,8)21(3,4)5/h9-14,20H,1,15H2,2-8H3.
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one?
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 372.58 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 10690701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).