tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane

C34H72O4Si3 — CID 101333301

About tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane

tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane (PubChem CID 101333301) has the molecular formula C34H72O4Si3 and a molecular weight of 629.20 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane
• PubChem CID: 101333301
• Molecular Formula: C34H72O4Si3
• Molecular Weight: 629.20 g/mol
• Exact Mass: 628.47
• IUPAC Name: tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane
• SMILES: CC(C)[Si](OC[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C(CCCCO[Si](C)(C)C(C)(C)C)O1)(C(C)C)C(C)C
• InChI: InChI=1S/C34H72O4Si3/c1-25(2)40(26(3)4,27(5)6)36-24-33-23-32(38-41(28(7)8,29(9)10)30(11)12)22-31(37-33)20-18-19-21-35-39(16,17)34(13,14)15/h22,25-30,32-33H,18-21,23-24H2,1-17H3/t32-,33+/m1/s1
• InChIKey: HZHZSIWQCOHMTE-SAIUNTKASA-N
• XLogP: 11.60
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.20
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane (CID 101333301) is tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane is CC(C)[Si](OC[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C(CCCCO[Si](C)(C)C(C)(C)C)O1)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane?

The InChIKey is HZHZSIWQCOHMTE-SAIUNTKASA-N. The full InChI is InChI=1S/C34H72O4Si3/c1-25(2)40(26(3)4,27(5)6)36-24-33-23-32(38-41(28(7)8,29(9)10)30(11)12)22-31(37-33)20-18-19-21-35-39(16,17)34(13,14)15/h22,25-30,32-33H,18-21,23-24H2,1-17H3/t32-,33+/m1/s1.

What are the key properties of tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane?

tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane has a molecular weight of 629.20 g/mol, XLogP of 11.60, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[4-[(2S,4S)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy]silane is sourced from PubChem (CID 101333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).