(5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one

C24H42O3Si — CID 70221028

About (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one

(5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one (PubChem CID 70221028) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one
• PubChem CID: 70221028
• Molecular Formula: C24H42O3Si
• Molecular Weight: 406.68 g/mol
• Exact Mass: 406.29
• IUPAC Name: (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one
• SMILES: C=C1C[C@@H](C[C@@H](C)[C@H]2CCC3C(O[Si](C)(C)C(C)(C)C)CCC[C@@]32C)OC1=O
• InChI: InChI=1S/C24H42O3Si/c1-16(14-18-15-17(2)22(25)26-18)19-11-12-20-21(10-9-13-24(19,20)6)27-28(7,8)23(3,4)5/h16,18-21H,2,9-15H2,1,3-8H3/t16-,18-,19-,20?,21?,24-/m1/s1
• InChIKey: FBINFIPFLWBUJK-NJYJUPLNSA-N
• XLogP: 6.49
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.68
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one?

The IUPAC name of (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one (CID 70221028) is (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one.

What is the SMILES notation for (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one?

The canonical SMILES for (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one is C=C1C[C@@H](C[C@@H](C)[C@H]2CCC3C(O[Si](C)(C)C(C)(C)C)CCC[C@@]32C)OC1=O.

What is the InChIKey of (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one?

The InChIKey is FBINFIPFLWBUJK-NJYJUPLNSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-16(14-18-15-17(2)22(25)26-18)19-11-12-20-21(10-9-13-24(19,20)6)27-28(7,8)23(3,4)5/h16,18-21H,2,9-15H2,1,3-8H3/t16-,18-,19-,20?,21?,24-/m1/s1.

What are the key properties of (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one?

(5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one has a molecular weight of 406.68 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 70221028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).