methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate

C27H50O4Si2 — CID 11092244

IUPACmethyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCCC#CC(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h4,12-15,17,19-22H2,1-3,5-11H3/t26-,27-/m0/s1
InChIKeyYNKYVBBLHDYNAQ-SVBPBHIXSA-N
MW494.87 g/mol
LogP7.47
Rot. Bonds12

About methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate

methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate (PubChem CID 11092244) has the molecular formula C27H50O4Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate.

Molecular Properties

Compound Namemethyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate
PubChem CID11092244
Molecular FormulaC27H50O4Si2
Molecular Weight494.87 g/mol
Exact Mass494.32
IUPAC Namemethyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCCC#CC(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h4,12-15,17,19-22H2,1-3,5-11H3/t26-,27-/m0/s1
InChIKeyYNKYVBBLHDYNAQ-SVBPBHIXSA-N
XLogP7.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.87
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-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

4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol
CID 10694523
methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate
CID 10994677
tert-butyl-[[(1S,2S)-1-(5,5-dibromopent-4-enyl)-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]methoxy]-dimethylsilane
CID 15188015
dimethyl nona-2,7-diynedioate
CID 11858703
methyl 4-[(1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclopentyl]but-2-ynoate
CID 11617570
trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
CID 10989748
methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
CID 14903688
methyl tetradec-13-en-2,8-diynoate
CID 10944315
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate
CID 102434980
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
CID 89027286
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate?
The IUPAC name of methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate (CID 11092244) is methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate.
What is the SMILES notation for methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate?
The canonical SMILES for methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCCC#CC(=O)OC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate?
The InChIKey is YNKYVBBLHDYNAQ-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H50O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h4,12-15,17,19-22H2,1-3,5-11H3/t26-,27-/m0/s1.
What are the key properties of methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate?
methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate has a molecular weight of 494.87 g/mol, XLogP of 7.47, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate is sourced from PubChem (CID 11092244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).