(1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one

C26H42O2Si — CID 140733784

About (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one

(1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one (PubChem CID 140733784) has the molecular formula C26H42O2Si and a molecular weight of 414.71 g/mol. Its IUPAC name is (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one.

Molecular Properties

• Compound Name: (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one
• PubChem CID: 140733784
• Molecular Formula: C26H42O2Si
• Molecular Weight: 414.71 g/mol
• Exact Mass: 414.30
• IUPAC Name: (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one
• SMILES: CC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC2=C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
• InChI: InChI=1S/C26H42O2Si/c1-15-11-18-12-16(2)22(28-29(9,10)24(4,5)6)20-21-19(25(21,7)8)13-17(3)26(18,14-15)23(20)27/h11,14,16-17,19-22H,12-13H2,1-10H3/t16-,17-,19-,20-,21-,22-,26-/m1/s1
• InChIKey: PPEYMLRMAODTBO-JBQHCXKPSA-N
• XLogP: 6.79
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.71
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one?

The IUPAC name of (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one (CID 140733784) is (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one.

What is the SMILES notation for (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one?

The canonical SMILES for (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one is CC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC2=C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C.

What is the InChIKey of (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one?

The InChIKey is PPEYMLRMAODTBO-JBQHCXKPSA-N. The full InChI is InChI=1S/C26H42O2Si/c1-15-11-18-12-16(2)22(28-29(9,10)24(4,5)6)20-21-19(25(21,7)8)13-17(3)26(18,14-15)23(20)27/h11,14,16-17,19-22H,12-13H2,1-10H3/t16-,17-,19-,20-,21-,22-,26-/m1/s1.

What are the key properties of (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one?

(1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one has a molecular weight of 414.71 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,4-dien-15-one is sourced from PubChem (CID 140733784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).