4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione

C19H24O4Si — CID 10020403

IUPAC4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione
SMILESCC1(C)C=CC(=O)C2=C1C(=O)C1C(O[Si](C)(C)C)C=CCC1C2=O
InChIInChI=1S/C19H24O4Si/c1-19(2)10-9-12(20)15-16(19)18(22)14-11(17(15)21)7-6-8-13(14)23-24(3,4)5/h6,8-11,13-14H,7H2,1-5H3
InChIKeyZGSJYEFBWDTOAN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.01
Rot. Bonds2

About 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione

4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione (PubChem CID 10020403) has the molecular formula C19H24O4Si and a molecular weight of 344.48 g/mol. Its IUPAC name is 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione.

Molecular Properties

Compound Name4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione
PubChem CID10020403
Molecular FormulaC19H24O4Si
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione
SMILESCC1(C)C=CC(=O)C2=C1C(=O)C1C(O[Si](C)(C)C)C=CCC1C2=O
InChIInChI=1S/C19H24O4Si/c1-19(2)10-9-12(20)15-16(19)18(22)14-11(17(15)21)7-6-8-13(14)23-24(3,4)5/h6,8-11,13-14H,7H2,1-5H3
InChIKeyZGSJYEFBWDTOAN-UHFFFAOYSA-N
XLogP3.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 14661878
(6R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-9-one
CID 101792046
(+/-)-(4aR,5R,8S,8aR)-8-(tert-Butyldimethylsilyloxy)-2,5,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 139085275
(1R,3S,8S,10S)-8,12,15,15-tetramethyl-10-triethylsilyloxytricyclo[9.3.1.03,8]pentadeca-5,11-diene-2,4,13-trione
CID 155931118
(4aS,5S,8aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 11461786
(4aR,5R,8aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 89718132
(1R,4aS,4bS,8aS,10aR)-6,9-dimethyl-1-triethylsilyloxy-1,4a,4b,8,8a,10a-hexahydrophenanthrene-4,5-dione
CID 141658444
(4aR,4bR,8aR,10aS)-6,9-dimethyl-1-triethylsilyloxy-1,4a,4b,8,8a,10a-hexahydrophenanthrene-4,5-dione
CID 141658448
(1S,4aR,4bR,8aR,10aS)-6,9-dimethyl-1-triethylsilyloxy-1,4a,4b,8,8a,10a-hexahydrophenanthrene-4,5-dione
CID 164932609
(4aS,4bS,8aS,10aR)-6,9-dimethyl-1-triethylsilyloxy-1,4a,4b,8,8a,10a-hexahydrophenanthrene-4,5-dione
CID 173801507
methyl (2R,4aS,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-1,1,2-trimethyl-4,8-dioxo-2,3,5,8a-tetrahydronaphthalene-4a-carboxylate
CID 10883751
(1R,8S,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12,15,15-trimethyl-9-methylidenetricyclo[9.3.1.03,8]pentadeca-3,11-dien-2-one
CID 10938236

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione?
The IUPAC name of 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione (CID 10020403) is 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione.
What is the SMILES notation for 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione?
The canonical SMILES for 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione is CC1(C)C=CC(=O)C2=C1C(=O)C1C(O[Si](C)(C)C)C=CCC1C2=O.
What is the InChIKey of 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione?
The InChIKey is ZGSJYEFBWDTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4Si/c1-19(2)10-9-12(20)15-16(19)18(22)14-11(17(15)21)7-6-8-13(14)23-24(3,4)5/h6,8-11,13-14H,7H2,1-5H3.
What are the key properties of 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione?
4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione has a molecular weight of 344.48 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-trimethylsilyloxy-5,8,8a,10a-tetrahydroanthracene-1,9,10-trione is sourced from PubChem (CID 10020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).