tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C22H40O4Si — CID 11406825

About tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 11406825) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
• PubChem CID: 11406825
• Molecular Formula: C22H40O4Si
• Molecular Weight: 396.64 g/mol
• Exact Mass: 396.27
• IUPAC Name: tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
• SMILES: C/C=C/C1OC([C@H]2COC(C)(C)O2)C=C(O[Si](C)(C)C(C)(C)C)C1C(C)C
• InChI: InChI=1S/C22H40O4Si/c1-11-12-16-20(15(2)3)18(26-27(9,10)21(4,5)6)13-17(24-16)19-14-23-22(7,8)25-19/h11-13,15-17,19-20H,14H2,1-10H3/b12-11+/t16?,17?,19-,20?/m1/s1
• InChIKey: SBBKSWZXZJNMMO-UQYIAYEQSA-N
• XLogP: 5.66
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.64
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 11406825) is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is C/C=C/C1OC([C@H]2COC(C)(C)O2)C=C(O[Si](C)(C)C(C)(C)C)C1C(C)C.

What is the InChIKey of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The InChIKey is SBBKSWZXZJNMMO-UQYIAYEQSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-11-12-16-20(15(2)3)18(26-27(9,10)21(4,5)6)13-17(24-16)19-14-23-22(7,8)25-19/h11-13,15-17,19-20H,14H2,1-10H3/b12-11+/t16?,17?,19-,20?/m1/s1.

What are the key properties of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 396.64 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11406825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).