methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

C30H44O3Si2 — CID 101041386

IUPACmethyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C30H44O3Si2/c1-30(2,3)35(25-15-10-8-11-16-25,26-17-12-9-13-18-26)33-28-21-20-24(23-29(31)32-4)27(28)19-14-22-34(5,6)7/h8-19,24,27-28H,20-23H2,1-7H3/b19-14+/t24-,27+,28-/m1/s1
InChIKeyBUAYRXGUQFZVLH-KRRPSDFLSA-N
MW508.85 g/mol
LogP6.42
Rot. Bonds9

About methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (PubChem CID 101041386) has the molecular formula C30H44O3Si2 and a molecular weight of 508.85 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
PubChem CID101041386
Molecular FormulaC30H44O3Si2
Molecular Weight508.85 g/mol
Exact Mass508.28
IUPAC Namemethyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C30H44O3Si2/c1-30(2,3)35(25-15-10-8-11-16-25,26-17-12-9-13-18-26)33-28-21-20-24(23-29(31)32-4)27(28)19-14-22-34(5,6)7/h8-19,24,27-28H,20-23H2,1-7H3/b19-14+/t24-,27+,28-/m1/s1
InChIKeyBUAYRXGUQFZVLH-KRRPSDFLSA-N
XLogP6.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.85
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (CID 101041386) is methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is COC(=O)C[C@H]1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/C[Si](C)(C)C.
What is the InChIKey of methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The InChIKey is BUAYRXGUQFZVLH-KRRPSDFLSA-N. The full InChI is InChI=1S/C30H44O3Si2/c1-30(2,3)35(25-15-10-8-11-16-25,26-17-12-9-13-18-26)33-28-21-20-24(23-29(31)32-4)27(28)19-14-22-34(5,6)7/h8-19,24,27-28H,20-23H2,1-7H3/b19-14+/t24-,27+,28-/m1/s1.
What are the key properties of methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate has a molecular weight of 508.85 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 101041386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).