methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate

C17H34O4Si2 — CID 91069907

IUPACmethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate
SMILESC#CC([C@H](C(=O)OC)[C@@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-11-14(22(6,7)8)15(16(19)20-5)13(18)12-21-23(9,10)17(2,3)4/h1,13-15,18H,12H2,2-10H3/t13-,14?,15+/m0/s1
InChIKeyUNKRIRZORCMIPM-ZHDDOTHNSA-N
MW358.63 g/mol
LogP3.50
Rot. Bonds7

About methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate

methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate (PubChem CID 91069907) 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]-3-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate
PubChem CID91069907
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Namemethyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate
SMILESC#CC([C@H](C(=O)OC)[C@@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-11-14(22(6,7)8)15(16(19)20-5)13(18)12-21-23(9,10)17(2,3)4/h1,13-15,18H,12H2,2-10H3/t13-,14?,15+/m0/s1
InChIKeyUNKRIRZORCMIPM-ZHDDOTHNSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate (CID 91069907) is methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate is C#CC([C@H](C(=O)OC)[C@@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate?
The InChIKey is UNKRIRZORCMIPM-ZHDDOTHNSA-N. The full InChI is InChI=1S/C17H34O4Si2/c1-11-14(22(6,7)8)15(16(19)20-5)13(18)12-21-23(9,10)17(2,3)4/h1,13-15,18H,12H2,2-10H3/t13-,14?,15+/m0/s1.
What are the key properties of methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate?
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoate has a molecular weight of 358.63 g/mol, XLogP of 3.50, 7 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]-3-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 91069907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).