(8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol

C27H50O2Si — CID 57139542

About (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol

(8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol (PubChem CID 57139542) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol.

Molecular Properties

• Compound Name: (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol
• PubChem CID: 57139542
• Molecular Formula: C27H50O2Si
• Molecular Weight: 434.78 g/mol
• Exact Mass: 434.36
• IUPAC Name: (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol
• SMILES: C[C@H](CC=CC=CC(C)(C)O)[C@H]1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
• InChI: InChI=1S/C27H50O2Si/c1-21(15-11-10-12-19-26(5,6)28)22-16-13-17-23-24(18-14-20-27(22,23)7)29-30(8,9)25(2,3)4/h10-12,19,21-24,28H,13-18,20H2,1-9H3/t21-,22-,23+,24+,27-/m1/s1
• InChIKey: FEQNMCJKSMQHHP-PXYUTCIWSA-N
• XLogP: 7.89
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.78
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol?

The IUPAC name of (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol (CID 57139542) is (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol.

What is the SMILES notation for (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol?

The canonical SMILES for (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol is C[C@H](CC=CC=CC(C)(C)O)[C@H]1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.

What is the InChIKey of (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol?

The InChIKey is FEQNMCJKSMQHHP-PXYUTCIWSA-N. The full InChI is InChI=1S/C27H50O2Si/c1-21(15-11-10-12-19-26(5,6)28)22-16-13-17-23-24(18-14-20-27(22,23)7)29-30(8,9)25(2,3)4/h10-12,19,21-24,28H,13-18,20H2,1-9H3/t21-,22-,23+,24+,27-/m1/s1.

What are the key properties of (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol?

(8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol has a molecular weight of 434.78 g/mol, XLogP of 7.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-[(1R,4aR,5S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]-2-methylnona-3,5-dien-2-ol is sourced from PubChem (CID 57139542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).