tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane

C21H39IO4Si — CID 137350359

About tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane

tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane (PubChem CID 137350359) has the molecular formula C21H39IO4Si and a molecular weight of 510.53 g/mol. Its IUPAC name is tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane
• PubChem CID: 137350359
• Molecular Formula: C21H39IO4Si
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.17
• IUPAC Name: tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane
• SMILES: C[C@@H]1C[C@H]([C@@H](C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)O[C@@H]1C/C=C\I
• InChI: InChI=1S/C21H39IO4Si/c1-15-12-18(24-17(15)10-9-11-22)19(26-27(7,8)20(2,3)4)13-16-14-23-21(5,6)25-16/h9,11,15-19H,10,12-14H2,1-8H3/b11-9-/t15-,16-,17-,18-,19-/m1/s1
• InChIKey: FYTNMITYHMHOJT-NMPABPCUSA-N
• XLogP: 6.05
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane (CID 137350359) is tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane is C[C@@H]1C[C@H]([C@@H](C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)O[C@@H]1C/C=C\I.

What is the InChIKey of tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The InChIKey is FYTNMITYHMHOJT-NMPABPCUSA-N. The full InChI is InChI=1S/C21H39IO4Si/c1-15-12-18(24-17(15)10-9-11-22)19(26-27(7,8)20(2,3)4)13-16-14-23-21(5,6)25-16/h9,11,15-19H,10,12-14H2,1-8H3/b11-9-/t15-,16-,17-,18-,19-/m1/s1.

What are the key properties of tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane?

tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane has a molecular weight of 510.53 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,4R,5R)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 137350359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).