tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane

C28H38O2Si — CID 11327994

About tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane (PubChem CID 11327994) has the molecular formula C28H38O2Si and a molecular weight of 434.70 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
• PubChem CID: 11327994
• Molecular Formula: C28H38O2Si
• Molecular Weight: 434.70 g/mol
• Exact Mass: 434.26
• IUPAC Name: tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
• SMILES: C=CC[C@@H]1O[C@H](CC=C)[C@@H](C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H38O2Si/c1-7-15-26-22(3)25(27(30-26)16-8-2)21-29-31(28(4,5)6,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h7-14,17-20,22,25-27H,1-2,15-16,21H2,3-6H3/t22-,25+,26+,27-/m0/s1
• InChIKey: IPWXVYBXZCGGFX-FDBFMKMFSA-N
• XLogP: 5.73
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.70
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane (CID 11327994) is tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane is C=CC[C@@H]1O[C@H](CC=C)[C@@H](C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane?

The InChIKey is IPWXVYBXZCGGFX-FDBFMKMFSA-N. The full InChI is InChI=1S/C28H38O2Si/c1-7-15-26-22(3)25(27(30-26)16-8-2)21-29-31(28(4,5)6,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h7-14,17-20,22,25-27H,1-2,15-16,21H2,3-6H3/t22-,25+,26+,27-/m0/s1.

What are the key properties of tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane?

tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane has a molecular weight of 434.70 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11327994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).