tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane

C23H46O5Si — CID 11407780

About tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane

tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane (PubChem CID 11407780) has the molecular formula C23H46O5Si and a molecular weight of 430.70 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane
• PubChem CID: 11407780
• Molecular Formula: C23H46O5Si
• Molecular Weight: 430.70 g/mol
• Exact Mass: 430.31
• IUPAC Name: tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane
• SMILES: C=C(C)C[C@H](C)[C@@H](OCOC)[C@H](C)C1([C@H](C)CO[Si](C)(C)C(C)(C)C)OCCO1
• InChI: InChI=1S/C23H46O5Si/c1-17(2)14-18(3)21(25-16-24-9)20(5)23(26-12-13-27-23)19(4)15-28-29(10,11)22(6,7)8/h18-21H,1,12-16H2,2-11H3/t18-,19+,20-,21+/m0/s1
• InChIKey: KKXZKISJBVGPLP-JSXRDJHFSA-N
• XLogP: 5.61
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.70
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane (CID 11407780) is tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane is C=C(C)C[C@H](C)[C@@H](OCOC)[C@H](C)C1([C@H](C)CO[Si](C)(C)C(C)(C)C)OCCO1.

What is the InChIKey of tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane?

The InChIKey is KKXZKISJBVGPLP-JSXRDJHFSA-N. The full InChI is InChI=1S/C23H46O5Si/c1-17(2)14-18(3)21(25-16-24-9)20(5)23(26-12-13-27-23)19(4)15-28-29(10,11)22(6,7)8/h18-21H,1,12-16H2,2-11H3/t18-,19+,20-,21+/m0/s1.

What are the key properties of tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane?

tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane has a molecular weight of 430.70 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 11407780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).