(2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol

C39H84O6Si4 — CID 138968937

About (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol

(2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol (PubChem CID 138968937) has the molecular formula C39H84O6Si4 and a molecular weight of 761.44 g/mol. Its IUPAC name is (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol.

Molecular Properties

• Compound Name: (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol
• PubChem CID: 138968937
• Molecular Formula: C39H84O6Si4
• Molecular Weight: 761.44 g/mol
• Exact Mass: 760.53
• IUPAC Name: (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol
• SMILES: C=C(C[C@@H](C[C@]1(OC)O[C@H](C[C@H](CCO)O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O)C1(C)C)O[Si](CC)(CC)CC)C([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C39H84O6Si4/c1-20-48(21-2,22-3)44-35(25-32(10)37(46(14,15)16)47(17,18)19)28-39(42-13)38(11,12)36(41)27-34(43-39)26-33(23-24-40)45-49(29(4)5,30(6)7)31(8)9/h29-31,33-37,40-41H,10,20-28H2,1-9,11-19H3/t33-,34+,35-,36-,39-/m0/s1
• InChIKey: RPFZQKYPKCUMTB-VHMAMIOOSA-N
• XLogP: 11.15
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.44
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol?

The IUPAC name of (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol (CID 138968937) is (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol.

What is the SMILES notation for (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol?

The canonical SMILES for (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol is C=C(C[C@@H](C[C@]1(OC)O[C@H](C[C@H](CCO)O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O)C1(C)C)O[Si](CC)(CC)CC)C([Si](C)(C)C)[Si](C)(C)C.

What is the InChIKey of (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol?

The InChIKey is RPFZQKYPKCUMTB-VHMAMIOOSA-N. The full InChI is InChI=1S/C39H84O6Si4/c1-20-48(21-2,22-3)44-35(25-32(10)37(46(14,15)16)47(17,18)19)28-39(42-13)38(11,12)36(41)27-34(43-39)26-33(23-24-40)45-49(29(4)5,30(6)7)31(8)9/h29-31,33-37,40-41H,10,20-28H2,1-9,11-19H3/t33-,34+,35-,36-,39-/m0/s1.

What are the key properties of (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol?

(2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol has a molecular weight of 761.44 g/mol, XLogP of 11.15, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol is sourced from PubChem (CID 138968937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).