methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate

C17H34O4Si2 — CID 11199155

IUPACmethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-17(2,3)23(8,9)21-13-15(18)14(16(19)20-4)11-10-12-22(5,6)7/h14-15,18H,11,13H2,1-9H3/t14-,15-/m0/s1
InChIKeyTZHLYYDEGYQFQG-GJZGRUSLSA-N
MW358.63 g/mol
LogP3.43
Rot. Bonds6

About methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate

methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate (PubChem CID 11199155) has the molecular formula C17H34O4Si2 and a molecular weight of 358.63 g/mol. Its IUPAC name is methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
PubChem CID11199155
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Namemethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-17(2,3)23(8,9)21-13-15(18)14(16(19)20-4)11-10-12-22(5,6)7/h14-15,18H,11,13H2,1-9H3/t14-,15-/m0/s1
InChIKeyTZHLYYDEGYQFQG-GJZGRUSLSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-[Tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid
CID 101495893
(2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoic acid
CID 87972498
lithium;butane;(2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoic acid
CID 88100877
(3R,4R,5R)-4-butoxy-5-[(4R,5S,6R,9R)-5-butoxy-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4-methylundeca-1,7-diynyl]-3-methyloxolan-2-one
CID 90320722
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate
CID 91069907
methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 157112368
tert-butyl (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-6-trimethylsilylhex-5-ynoate
CID 159210145
methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate
CID 159450631
methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate
CID 10409092
dimethyl (2R,3S)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate
CID 10869435
dimethyl (2R,3R)-2-hydroxy-3-(3-trimethylsilylprop-2-ynyl)butanedioate
CID 16054883
9-[Tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxynon-5-ynoic acid
CID 101495894

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate (CID 11199155) is methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate is COC(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The InChIKey is TZHLYYDEGYQFQG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O4Si2/c1-17(2,3)23(8,9)21-13-15(18)14(16(19)20-4)11-10-12-22(5,6)7/h14-15,18H,11,13H2,1-9H3/t14-,15-/m0/s1.
What are the key properties of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate has a molecular weight of 358.63 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 11199155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).