tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane

C24H42O5Si — CID 71733102

About tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane (PubChem CID 71733102) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
• PubChem CID: 71733102
• Molecular Formula: C24H42O5Si
• Molecular Weight: 438.68 g/mol
• Exact Mass: 438.28
• IUPAC Name: tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
• SMILES: C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCOCc1ccc(OC)cc1)OCOC
• InChI: InChI=1S/C24H42O5Si/c1-10-22(29-30(8,9)24(3,4)5)19(2)23(28-18-25-6)15-16-27-17-20-11-13-21(26-7)14-12-20/h10-14,19,22-23H,1,15-18H2,2-9H3/t19-,22-,23-/m0/s1
• InChIKey: HNNRSKITYALRMR-VJBMBRPKSA-N
• XLogP: 5.80
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.68
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane (CID 71733102) is tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCOCc1ccc(OC)cc1)OCOC.

What is the InChIKey of tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane?

The InChIKey is HNNRSKITYALRMR-VJBMBRPKSA-N. The full InChI is InChI=1S/C24H42O5Si/c1-10-22(29-30(8,9)24(3,4)5)19(2)23(28-18-25-6)15-16-27-17-20-11-13-21(26-7)14-12-20/h10-14,19,22-23H,1,15-18H2,2-9H3/t19-,22-,23-/m0/s1.

What are the key properties of tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane?

tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 438.68 g/mol, XLogP of 5.80, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 71733102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).