tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane

C22H40O3Si — CID 10500020

About tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane

tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane (PubChem CID 10500020) has the molecular formula C22H40O3Si and a molecular weight of 380.65 g/mol. Its IUPAC name is tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane
• PubChem CID: 10500020
• Molecular Formula: C22H40O3Si
• Molecular Weight: 380.65 g/mol
• Exact Mass: 380.27
• IUPAC Name: tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane
• SMILES: CC(=C/[C@H](C)CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H]1CC=C[C@@H](OC(C)C)O1
• InChI: InChI=1S/C22H40O3Si/c1-17(2)24-21-12-10-11-20(25-21)14-13-18(3)15-19(4)16-23-26(8,9)22(5,6)7/h10,12-15,17,19-21H,11,16H2,1-9H3/b14-13+,18-15-/t19-,20-,21-/m0/s1
• InChIKey: KMOPQISUOLBHSU-XTHGZXGKSA-N
• XLogP: 6.24
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.65
LogP ≤ 5	6.24
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane (CID 10500020) is tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane is CC(=C/[C@H](C)CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H]1CC=C[C@@H](OC(C)C)O1.

What is the InChIKey of tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane?

The InChIKey is KMOPQISUOLBHSU-XTHGZXGKSA-N. The full InChI is InChI=1S/C22H40O3Si/c1-17(2)24-21-12-10-11-20(25-21)14-13-18(3)15-19(4)16-23-26(8,9)22(5,6)7/h10,12-15,17,19-21H,11,16H2,1-9H3/b14-13+,18-15-/t19-,20-,21-/m0/s1.

What are the key properties of tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane?

tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane has a molecular weight of 380.65 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 10500020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).