[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate

C34H70O6Si3 — CID 89351701

IUPAC[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](CC[Si](C)(C)C(C)(C)C)[C@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1[C@@H](C)COC(C)=O
InChIInChI=1S/C34H70O6Si3/c1-17-27(24-38-42(15,16)34(10,11)12)29(36)28(21-22-41(13,14)33(7,8)9)31(40-43(18-2,19-3)20-4)32-30(39-32)25(5)23-37-26(6)35/h17,25,27-32,36H,1,18-24H2,2-16H3/t25-,27-,28-,29+,30+,31-,32-/m0/s1
InChIKeyHNYGHIDCUNGOAW-CMKNBVMOSA-N
MW659.19 g/mol
LogP9.04
Rot. Bonds19

About [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate

[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate (PubChem CID 89351701) has the molecular formula C34H70O6Si3 and a molecular weight of 659.19 g/mol. Its IUPAC name is [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate
PubChem CID89351701
Molecular FormulaC34H70O6Si3
Molecular Weight659.19 g/mol
Exact Mass658.45
IUPAC Name[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](CC[Si](C)(C)C(C)(C)C)[C@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1[C@@H](C)COC(C)=O
InChIInChI=1S/C34H70O6Si3/c1-17-27(24-38-42(15,16)34(10,11)12)29(36)28(21-22-41(13,14)33(7,8)9)31(40-43(18-2,19-3)20-4)32-30(39-32)25(5)23-37-26(6)35/h17,25,27-32,36H,1,18-24H2,2-16H3/t25-,27-,28-,29+,30+,31-,32-/m0/s1
InChIKeyHNYGHIDCUNGOAW-CMKNBVMOSA-N
XLogP9.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.19
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate?
The IUPAC name of [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate (CID 89351701) is [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate.
What is the SMILES notation for [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate?
The canonical SMILES for [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate is C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](CC[Si](C)(C)C(C)(C)C)[C@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1[C@@H](C)COC(C)=O.
What is the InChIKey of [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate?
The InChIKey is HNYGHIDCUNGOAW-CMKNBVMOSA-N. The full InChI is InChI=1S/C34H70O6Si3/c1-17-27(24-38-42(15,16)34(10,11)12)29(36)28(21-22-41(13,14)33(7,8)9)31(40-43(18-2,19-3)20-4)32-30(39-32)25(5)23-37-26(6)35/h17,25,27-32,36H,1,18-24H2,2-16H3/t25-,27-,28-,29+,30+,31-,32-/m0/s1.
What are the key properties of [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate?
[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate has a molecular weight of 659.19 g/mol, XLogP of 9.04, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate is sourced from PubChem (CID 89351701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).