(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol

C35H56O5Si2 — CID 11671688

About (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol (PubChem CID 11671688) has the molecular formula C35H56O5Si2 and a molecular weight of 613.00 g/mol. Its IUPAC name is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol.

Molecular Properties

• Compound Name: (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol
• PubChem CID: 11671688
• Molecular Formula: C35H56O5Si2
• Molecular Weight: 613.00 g/mol
• Exact Mass: 612.37
• IUPAC Name: (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol
• SMILES: COCOC[C@](C)(/C=C/C[Si](C)(C)C)CCC1(O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C
• InChI: InChI=1S/C35H56O5Si2/c1-29-25-30(40-35(29,36)23-22-34(5,27-38-28-37-6)21-16-24-41(7,8)9)26-39-42(33(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32/h10-21,29-30,36H,22-28H2,1-9H3/b21-16+/t29-,30+,34+,35?/m0/s1
• InChIKey: FSGRCLRKWHFHNV-ZZIQPEANSA-N
• XLogP: 6.98
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.00
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
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 (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol?

The IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol (CID 11671688) is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol.

What is the SMILES notation for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol?

The canonical SMILES for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol is COCOC[C@](C)(/C=C/C[Si](C)(C)C)CCC1(O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C.

What is the InChIKey of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol?

The InChIKey is FSGRCLRKWHFHNV-ZZIQPEANSA-N. The full InChI is InChI=1S/C35H56O5Si2/c1-29-25-30(40-35(29,36)23-22-34(5,27-38-28-37-6)21-16-24-41(7,8)9)26-39-42(33(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32/h10-21,29-30,36H,22-28H2,1-9H3/b21-16+/t29-,30+,34+,35?/m0/s1.

What are the key properties of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol?

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol has a molecular weight of 613.00 g/mol, XLogP of 6.98, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol is sourced from PubChem (CID 11671688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).