methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate

C19H35BrO4Si2 — CID 53381236

IUPACmethyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O[Si](C)(C)CBr)C=C1C(=O)OC
InChIInChI=1S/C19H35BrO4Si2/c1-14(12-23-26(8,9)19(2,3)4)16-10-15(24-25(6,7)13-20)11-17(16)18(21)22-5/h11,15-16H,1,10,12-13H2,2-9H3/t15-,16+/m1/s1
InChIKeyFMTIYZRWWQITGE-CVEARBPZSA-N
MW463.56 g/mol
LogP5.21
Rot. Bonds8

About methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate

methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate (PubChem CID 53381236) has the molecular formula C19H35BrO4Si2 and a molecular weight of 463.56 g/mol. Its IUPAC name is methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate
PubChem CID53381236
Molecular FormulaC19H35BrO4Si2
Molecular Weight463.56 g/mol
Exact Mass462.13
IUPAC Namemethyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O[Si](C)(C)CBr)C=C1C(=O)OC
InChIInChI=1S/C19H35BrO4Si2/c1-14(12-23-26(8,9)19(2,3)4)16-10-15(24-25(6,7)13-20)11-17(16)18(21)22-5/h11,15-16H,1,10,12-13H2,2-9H3/t15-,16+/m1/s1
InChIKeyFMTIYZRWWQITGE-CVEARBPZSA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate?
The IUPAC name of methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate (CID 53381236) is methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate is C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O[Si](C)(C)CBr)C=C1C(=O)OC.
What is the InChIKey of methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate?
The InChIKey is FMTIYZRWWQITGE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H35BrO4Si2/c1-14(12-23-26(8,9)19(2,3)4)16-10-15(24-25(6,7)13-20)11-17(16)18(21)22-5/h11,15-16H,1,10,12-13H2,2-9H3/t15-,16+/m1/s1.
What are the key properties of methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate?
methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-3-[bromomethyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]cyclopentene-1-carboxylate is sourced from PubChem (CID 53381236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).