2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane

C20H28O4Si — CID 23247717

IUPAC2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1OC#C[Si](C)(C)C
InChIInChI=1S/C20H28O4Si/c1-6-7-8-18-19(22-13-14-25(3,4)5)15-23-20(24-18)16-9-11-17(21-2)12-10-16/h6,9-12,18-20H,1,7-8,15H2,2-5H3/t18-,19+,20+/m0/s1
InChIKeyZBXDNCNBCCUFFL-XUVXKRRUSA-N
MW360.53 g/mol
LogP4.30
Rot. Bonds6

About 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane

2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane (PubChem CID 23247717) has the molecular formula C20H28O4Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane
PubChem CID23247717
Molecular FormulaC20H28O4Si
Molecular Weight360.53 g/mol
Exact Mass360.18
IUPAC Name2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1OC#C[Si](C)(C)C
InChIInChI=1S/C20H28O4Si/c1-6-7-8-18-19(22-13-14-25(3,4)5)15-23-20(24-18)16-9-11-17(21-2)12-10-16/h6,9-12,18-20H,1,7-8,15H2,2-5H3/t18-,19+,20+/m0/s1
InChIKeyZBXDNCNBCCUFFL-XUVXKRRUSA-N
XLogP4.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane 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 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane?
The IUPAC name of 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane (CID 23247717) is 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane?
The canonical SMILES for 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane is C=CCC[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1OC#C[Si](C)(C)C.
What is the InChIKey of 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane?
The InChIKey is ZBXDNCNBCCUFFL-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H28O4Si/c1-6-7-8-18-19(22-13-14-25(3,4)5)15-23-20(24-18)16-9-11-17(21-2)12-10-16/h6,9-12,18-20H,1,7-8,15H2,2-5H3/t18-,19+,20+/m0/s1.
What are the key properties of 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane?
2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane has a molecular weight of 360.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4S,5R)-4-but-3-enyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]ethynyl-trimethylsilane is sourced from PubChem (CID 23247717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).