(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide

C11H21NO3Si — CID 11817385

IUPAC(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-9(11(14)12(2)15-3)10(13)7-8-16(4,5)6/h9-10,13H,1-6H3/t9-,10+/m1/s1
InChIKeyXFSKFQLNQNXBQL-ZJUUUORDSA-N
MW243.38 g/mol
LogP0.88
Rot. Bonds3

About (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide

(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide (PubChem CID 11817385) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
PubChem CID11817385
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Name(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-9(11(14)12(2)15-3)10(13)7-8-16(4,5)6/h9-10,13H,1-6H3/t9-,10+/m1/s1
InChIKeyXFSKFQLNQNXBQL-ZJUUUORDSA-N
XLogP0.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide?
The IUPAC name of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide (CID 11817385) is (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide.
What is the SMILES notation for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide?
The canonical SMILES for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide is CON(C)C(=O)[C@H](C)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide?
The InChIKey is XFSKFQLNQNXBQL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-9(11(14)12(2)15-3)10(13)7-8-16(4,5)6/h9-10,13H,1-6H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide?
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide has a molecular weight of 243.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide is sourced from PubChem (CID 11817385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).