6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one

C23H28O7Si — CID 10884757

IUPAC6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCOc1cccc2c1C(O[Si](C)(C)C)=C(C(C)=O)C(CC1=CC(=O)OC(C)(C)O1)C2=O
InChIInChI=1S/C23H28O7Si/c1-13(24)19-16(11-14-12-18(25)29-23(2,3)28-14)21(26)15-9-8-10-17(27-4)20(15)22(19)30-31(5,6)7/h8-10,12,16H,11H2,1-7H3
InChIKeyHQZNFPGCCNHSNL-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.24
Rot. Bonds6

About 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10884757) has the molecular formula C23H28O7Si and a molecular weight of 444.56 g/mol. Its IUPAC name is 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10884757
Molecular FormulaC23H28O7Si
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCOc1cccc2c1C(O[Si](C)(C)C)=C(C(C)=O)C(CC1=CC(=O)OC(C)(C)O1)C2=O
InChIInChI=1S/C23H28O7Si/c1-13(24)19-16(11-14-12-18(25)29-23(2,3)28-14)21(26)15-9-8-10-17(27-4)20(15)22(19)30-31(5,6)7/h8-10,12,16H,11H2,1-7H3
InChIKeyHQZNFPGCCNHSNL-UHFFFAOYSA-N
XLogP4.24
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxy-3-propanoylnaphthalene-1,4-dione
CID 102251274
methyl 4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-oxobutanoate
CID 57380037
ethyl 9a-bromo-5-methoxy-4,9-dioxo-3aH-benzo[f][1,2]benzoxazole-3-carboxylate
CID 134999871
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 11459407
acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
5-[[2-[tert-butyl(diphenyl)silyl]oxy-3-methoxyphenyl]methyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 11421246
2,2-dimethyl-6-(2-oxo-2-thiophen-2-ylethyl)-1,3-dioxin-4-one
CID 11265236
(9S)-12-cyclobutylidene-6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8,9,10-tetrahydrotetracen-5-one
CID 142144213
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 6710162
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538

Frequently Asked Questions

What is the IUPAC name of 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 10884757) is 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one is COc1cccc2c1C(O[Si](C)(C)C)=C(C(C)=O)C(CC1=CC(=O)OC(C)(C)O1)C2=O.
What is the InChIKey of 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is HQZNFPGCCNHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O7Si/c1-13(24)19-16(11-14-12-18(25)29-23(2,3)28-14)21(26)15-9-8-10-17(27-4)20(15)22(19)30-31(5,6)7/h8-10,12,16H,11H2,1-7H3.
What are the key properties of 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 444.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-acetyl-5-methoxy-1-oxo-4-trimethylsilyloxy-2H-naphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10884757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).