[(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane

C20H38O3Si — CID 10247580

About [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10247580) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10247580
• Molecular Formula: C20H38O3Si
• Molecular Weight: 354.61 g/mol
• Exact Mass: 354.26
• IUPAC Name: [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=CC(OCOC)[C@@H]1C[C@@H]2CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C1
• InChI: InChI=1S/C20H38O3Si/c1-8-18(22-14-21-5)16-12-15-10-9-11-19(17(15)13-16)23-24(6,7)20(2,3)4/h8,15-19H,1,9-14H2,2-7H3/t15-,16+,17+,18?,19-/m0/s1
• InChIKey: LJBHSJNKKCYTFS-QHEYBIKBSA-N
• XLogP: 5.38
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.61
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane (CID 10247580) is [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane is C=CC(OCOC)[C@@H]1C[C@@H]2CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C1.

What is the InChIKey of [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is LJBHSJNKKCYTFS-QHEYBIKBSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-8-18(22-14-21-5)16-12-15-10-9-11-19(17(15)13-16)23-24(6,7)20(2,3)4/h8,15-19H,1,9-14H2,2-7H3/t15-,16+,17+,18?,19-/m0/s1.

What are the key properties of [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

[(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 354.61 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10247580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).