tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

C18H36O3Si — CID 10404268

About tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (PubChem CID 10404268) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
• PubChem CID: 10404268
• Molecular Formula: C18H36O3Si
• Molecular Weight: 328.57 g/mol
• Exact Mass: 328.24
• IUPAC Name: tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
• SMILES: C=CC[C@H]1C[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
• InChI: InChI=1S/C18H36O3Si/c1-10-11-15-12-16(21-18(6,7)20-15)14(2)13-19-22(8,9)17(3,4)5/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16+/m1/s1
• InChIKey: YSIKWSDLCVHIDP-PMPSAXMXSA-N
• XLogP: 5.13
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.57
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (CID 10404268) is tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is C=CC[C@H]1C[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1.

What is the InChIKey of tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?

The InChIKey is YSIKWSDLCVHIDP-PMPSAXMXSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-11-15-12-16(21-18(6,7)20-15)14(2)13-19-22(8,9)17(3,4)5/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16+/m1/s1.

What are the key properties of tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?

tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 10404268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).