methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate

C19H34O5Si — CID 10992301

IUPACmethyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate
SMILESCOC(=O)C#C[C@@H]1OC(C)(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H34O5Si/c1-14-15(10-11-17(20)21-7)23-19(5,6)24-16(14)12-13-22-25(8,9)18(2,3)4/h14-16H,12-13H2,1-9H3/t14-,15+,16+/m1/s1
InChIKeyDFQYPEKZOXXNLN-PMPSAXMXSA-N
MW370.56 g/mol
LogP3.73
Rot. Bonds4

About methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate

methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate (PubChem CID 10992301) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate
PubChem CID10992301
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namemethyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate
SMILESCOC(=O)C#C[C@@H]1OC(C)(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H34O5Si/c1-14-15(10-11-17(20)21-7)23-19(5,6)24-16(14)12-13-22-25(8,9)18(2,3)4/h14-16H,12-13H2,1-9H3/t14-,15+,16+/m1/s1
InChIKeyDFQYPEKZOXXNLN-PMPSAXMXSA-N
XLogP3.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate?
The IUPAC name of methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate (CID 10992301) is methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate.
What is the SMILES notation for methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate?
The canonical SMILES for methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate is COC(=O)C#C[C@@H]1OC(C)(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate?
The InChIKey is DFQYPEKZOXXNLN-PMPSAXMXSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-14-15(10-11-17(20)21-7)23-19(5,6)24-16(14)12-13-22-25(8,9)18(2,3)4/h14-16H,12-13H2,1-9H3/t14-,15+,16+/m1/s1.
What are the key properties of methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate?
methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate has a molecular weight of 370.56 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-ynoate is sourced from PubChem (CID 10992301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).