methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate

C11H20O3Si — CID 57259491

IUPACmethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)[C@H](CC#C[Si](C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H20O3Si/c1-9(12)10(11(13)14-2)7-6-8-15(3,4)5/h9-10,12H,7H2,1-5H3/t9-,10-/m1/s1
InChIKeyYFMUGJIRLFTGRR-NXEZZACHSA-N
MW228.36 g/mol
LogP1.43
Rot. Bonds3

About methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate

methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate (PubChem CID 57259491) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
PubChem CID57259491
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)[C@H](CC#C[Si](C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H20O3Si/c1-9(12)10(11(13)14-2)7-6-8-15(3,4)5/h9-10,12H,7H2,1-5H3/t9-,10-/m1/s1
InChIKeyYFMUGJIRLFTGRR-NXEZZACHSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate (CID 57259491) is methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate is COC(=O)[C@H](CC#C[Si](C)(C)C)[C@@H](C)O.
What is the InChIKey of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
The InChIKey is YFMUGJIRLFTGRR-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-9(12)10(11(13)14-2)7-6-8-15(3,4)5/h9-10,12H,7H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate?
methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate has a molecular weight of 228.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 57259491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).