methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate

C45H68N2O5Si2 — CID 58082966

IUPACmethyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
SMILESCOC(=O)CC1c2ccc(CCc3cccc(-c4c(C)nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc4C)c3C)cc2CC12CC2
InChIInChI=1S/C45H68N2O5Si2/c1-30-35(20-18-33-19-21-38-36(24-33)26-45(22-23-45)39(38)25-40(48)49-10)16-15-17-37(30)41-31(2)46-42(47-32(41)3)50-27-34(28-51-53(11,12)43(4,5)6)29-52-54(13,14)44(7,8)9/h15-17,19,21,24,34,39H,18,20,22-23,25-29H2,1-14H3
InChIKeyKWDXTPHVHIJGFX-UHFFFAOYSA-N
MW773.22 g/mol
LogP10.88
Rot. Bonds15

About methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate

methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate (PubChem CID 58082966) has the molecular formula C45H68N2O5Si2 and a molecular weight of 773.22 g/mol. Its IUPAC name is methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
PubChem CID58082966
Molecular FormulaC45H68N2O5Si2
Molecular Weight773.22 g/mol
Exact Mass772.47
IUPAC Namemethyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
SMILESCOC(=O)CC1c2ccc(CCc3cccc(-c4c(C)nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc4C)c3C)cc2CC12CC2
InChIInChI=1S/C45H68N2O5Si2/c1-30-35(20-18-33-19-21-38-36(24-33)26-45(22-23-45)39(38)25-40(48)49-10)16-15-17-37(30)41-31(2)46-42(47-32(41)3)50-27-34(28-51-53(11,12)43(4,5)6)29-52-54(13,14)44(7,8)9/h15-17,19,21,24,34,39H,18,20,22-23,25-29H2,1-14H3
InChIKeyKWDXTPHVHIJGFX-UHFFFAOYSA-N
XLogP10.88
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.22
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The IUPAC name of methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate (CID 58082966) is methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate is COC(=O)CC1c2ccc(CCc3cccc(-c4c(C)nc(OCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc4C)c3C)cc2CC12CC2.
What is the InChIKey of methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The InChIKey is KWDXTPHVHIJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H68N2O5Si2/c1-30-35(20-18-33-19-21-38-36(24-33)26-45(22-23-45)39(38)25-40(48)49-10)16-15-17-37(30)41-31(2)46-42(47-32(41)3)50-27-34(28-51-53(11,12)43(4,5)6)29-52-54(13,14)44(7,8)9/h15-17,19,21,24,34,39H,18,20,22-23,25-29H2,1-14H3.
What are the key properties of methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate has a molecular weight of 773.22 g/mol, XLogP of 10.88, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate is sourced from PubChem (CID 58082966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).