(2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol

C26H46O2Si2 — CID 102097557

About (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol

(2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol (PubChem CID 102097557) has the molecular formula C26H46O2Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol.

Molecular Properties

• Compound Name: (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol
• PubChem CID: 102097557
• Molecular Formula: C26H46O2Si2
• Molecular Weight: 446.82 g/mol
• Exact Mass: 446.30
• IUPAC Name: (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol
• SMILES: C=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](/C=C\C)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C26H46O2Si2/c1-12-17-23(29(8,9)22-18-15-14-16-19-22)24(27)21(4)25(20(3)13-2)28-30(10,11)26(5,6)7/h12-21,23-25,27H,2H2,1,3-11H3/b17-12-/t20-,21-,23-,24+,25-/m0/s1
• InChIKey: PFDNPSJITFWNHM-AVEFHUAFSA-N
• XLogP: 6.76
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.82
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
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 (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol?

The IUPAC name of (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol (CID 102097557) is (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol.

What is the SMILES notation for (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol?

The canonical SMILES for (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol is C=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](/C=C\C)[Si](C)(C)c1ccccc1.

What is the InChIKey of (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol?

The InChIKey is PFDNPSJITFWNHM-AVEFHUAFSA-N. The full InChI is InChI=1S/C26H46O2Si2/c1-12-17-23(29(8,9)22-18-15-14-16-19-22)24(27)21(4)25(20(3)13-2)28-30(10,11)26(5,6)7/h12-21,23-25,27H,2H2,1,3-11H3/b17-12-/t20-,21-,23-,24+,25-/m0/s1.

What are the key properties of (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol?

(2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol has a molecular weight of 446.82 g/mol, XLogP of 6.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol is sourced from PubChem (CID 102097557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).