methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate

C25H44O8Si2 — CID 134943675

IUPACmethyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate
SMILESCC[Si](CC)(CC)O[C@]1(CO[Si](C)(C)C(C)(C)C)[C@H](O)C=CC2(OCCO2)[C@@]1(O)C#CC(=O)OC
InChIInChI=1S/C25H44O8Si2/c1-10-35(11-2,12-3)33-23(19-32-34(8,9)22(4,5)6)20(26)13-16-25(30-17-18-31-25)24(23,28)15-14-21(27)29-7/h13,16,20,26,28H,10-12,17-19H2,1-9H3/t20-,23-,24-/m1/s1
InChIKeyVCDGCIQCODKLFS-AGILITTLSA-N
MW528.79 g/mol
LogP3.35
Rot. Bonds8

About methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate

methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate (PubChem CID 134943675) has the molecular formula C25H44O8Si2 and a molecular weight of 528.79 g/mol. Its IUPAC name is methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate
PubChem CID134943675
Molecular FormulaC25H44O8Si2
Molecular Weight528.79 g/mol
Exact Mass528.26
IUPAC Namemethyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate
SMILESCC[Si](CC)(CC)O[C@]1(CO[Si](C)(C)C(C)(C)C)[C@H](O)C=CC2(OCCO2)[C@@]1(O)C#CC(=O)OC
InChIInChI=1S/C25H44O8Si2/c1-10-35(11-2,12-3)33-23(19-32-34(8,9)22(4,5)6)20(26)13-16-25(30-17-18-31-25)24(23,28)15-14-21(27)29-7/h13,16,20,26,28H,10-12,17-19H2,1-9H3/t20-,23-,24-/m1/s1
InChIKeyVCDGCIQCODKLFS-AGILITTLSA-N
XLogP3.35
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate 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

(2R)-2-[(E)-2-[(4S,5R)-5-(2-hydroxy-4-trimethylsilylbut-3-ynyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134931039
(2R)-2-[(E)-2-[(4R,5R)-5-(2-hydroxy-4-trimethylsilylbut-3-ynyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134931575
(2R)-2-[(E)-2-[(5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134939189
[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-triethylsilyloxyhexa-1,5-diynyl]-1,5-dihydroxycyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate
CID 10908436
[(2S)-4-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5-trimethylsilyloxy-5-(3-trimethylsilylprop-2-ynyl)cyclopenten-1-yl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-ynyl] 2,2-dimethylpropanoate
CID 11093890
(2R)-2-[(E)-2-[(4R,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 11268951
(2R)-2-[(E,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-3-methyl-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one
CID 44556779
(6R,7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-9-ene-6,7-diol
CID 49818476
methyl 3-[(6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate
CID 49818477
(E,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-8-trimethylsilyloct-1-en-7-yne-3,4-diol
CID 66524636
(2R)-2-[2-[(4R,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177443642
(2R)-2-[2-[(4S,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177556945

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate?
The IUPAC name of methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate (CID 134943675) is methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate.
What is the SMILES notation for methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate?
The canonical SMILES for methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate is CC[Si](CC)(CC)O[C@]1(CO[Si](C)(C)C(C)(C)C)[C@H](O)C=CC2(OCCO2)[C@@]1(O)C#CC(=O)OC.
What is the InChIKey of methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate?
The InChIKey is VCDGCIQCODKLFS-AGILITTLSA-N. The full InChI is InChI=1S/C25H44O8Si2/c1-10-35(11-2,12-3)33-23(19-32-34(8,9)22(4,5)6)20(26)13-16-25(30-17-18-31-25)24(23,28)15-14-21(27)29-7/h13,16,20,26,28H,10-12,17-19H2,1-9H3/t20-,23-,24-/m1/s1.
What are the key properties of methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate?
methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate has a molecular weight of 528.79 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate is sourced from PubChem (CID 134943675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).