(1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol

C26H46O3Si — CID 134840700

About (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol

(1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol (PubChem CID 134840700) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol.

Molecular Properties

• Compound Name: (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol
• PubChem CID: 134840700
• Molecular Formula: C26H46O3Si
• Molecular Weight: 434.74 g/mol
• Exact Mass: 434.32
• IUPAC Name: (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol
• SMILES: C=C(C)[C@H]1C[C@@H]2C/C=C(/C)CC/C=C(/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(O)[C@]2(C)O
• InChI: InChI=1S/C26H46O3Si/c1-17(2)21-16-20-15-14-18(3)12-11-13-19(4)23(22(21)24(27)26(20,8)28)29-30(9,10)25(5,6)7/h13-14,20-24,27-28H,1,11-12,15-16H2,2-10H3/b18-14-,19-13-/t20-,21+,22-,23-,24?,26+/m0/s1
• InChIKey: RZTNEQCJRIGYNS-YONBQXNSSA-N
• XLogP: 6.39
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.74
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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 (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol?

The IUPAC name of (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol (CID 134840700) is (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol.

What is the SMILES notation for (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol?

The canonical SMILES for (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol is C=C(C)[C@H]1C[C@@H]2C/C=C(/C)CC/C=C(/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(O)[C@]2(C)O.

What is the InChIKey of (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol?

The InChIKey is RZTNEQCJRIGYNS-YONBQXNSSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-17(2)21-16-20-15-14-18(3)12-11-13-19(4)23(22(21)24(27)26(20,8)28)29-30(9,10)25(5,6)7/h13-14,20-24,27-28H,1,11-12,15-16H2,2-10H3/b18-14-,19-13-/t20-,21+,22-,23-,24?,26+/m0/s1.

What are the key properties of (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol?

(1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol has a molecular weight of 434.74 g/mol, XLogP of 6.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol is sourced from PubChem (CID 134840700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).