methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate

C23H28O8Si — CID 10742636

IUPACmethyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate
SMILESCOC(=O)c1c(OCOCC[Si](C)(C)C)cc(OC)c2c(=O)c3c(OC)cccc3oc12
InChIInChI=1S/C23H28O8Si/c1-26-14-8-7-9-15-18(14)21(24)19-16(27-2)12-17(20(22(19)31-15)23(25)28-3)30-13-29-10-11-32(4,5)6/h7-9,12H,10-11,13H2,1-6H3
InChIKeyHCCJSNHYDKNVIA-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.44
Rot. Bonds9

About methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate

methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate (PubChem CID 10742636) has the molecular formula C23H28O8Si and a molecular weight of 460.56 g/mol. Its IUPAC name is methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate
PubChem CID10742636
Molecular FormulaC23H28O8Si
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Namemethyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate
SMILESCOC(=O)c1c(OCOCC[Si](C)(C)C)cc(OC)c2c(=O)c3c(OC)cccc3oc12
InChIInChI=1S/C23H28O8Si/c1-26-14-8-7-9-15-18(14)21(24)19-16(27-2)12-17(20(22(19)31-15)23(25)28-3)30-13-29-10-11-32(4,5)6/h7-9,12H,10-11,13H2,1-6H3
InChIKeyHCCJSNHYDKNVIA-UHFFFAOYSA-N
XLogP4.44
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
methyl 6-(hydroxymethyl)-8-methoxy-9-oxoxanthene-1-carboxylate
CID 163045284
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate
CID 160623868
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763
methyl 3,8-dihydroxy-2-methoxy-9-oxoxanthene-1-carboxylate
CID 170989946
methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
CID 162361540
7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 142676475
3-ethyl-5-methoxy-4-oxochromene-2-carboxylic acid
CID 69384782

Frequently Asked Questions

What is the IUPAC name of methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate?
The IUPAC name of methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate (CID 10742636) is methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate.
What is the SMILES notation for methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate?
The canonical SMILES for methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate is COC(=O)c1c(OCOCC[Si](C)(C)C)cc(OC)c2c(=O)c3c(OC)cccc3oc12.
What is the InChIKey of methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate?
The InChIKey is HCCJSNHYDKNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8Si/c1-26-14-8-7-9-15-18(14)21(24)19-16(27-2)12-17(20(22(19)31-15)23(25)28-3)30-13-29-10-11-32(4,5)6/h7-9,12H,10-11,13H2,1-6H3.
What are the key properties of methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate?
methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate is sourced from PubChem (CID 10742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).