[(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C28H52O3Si — CID 10576119

About [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10576119) has the molecular formula C28H52O3Si and a molecular weight of 464.81 g/mol. Its IUPAC name is [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10576119
• Molecular Formula: C28H52O3Si
• Molecular Weight: 464.81 g/mol
• Exact Mass: 464.37
• IUPAC Name: [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=CC(/C=C/C(C)(C)OCOC)[C@@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
• InChI: InChI=1S/C28H52O3Si/c1-12-22(17-19-27(6,7)30-20-29-9)21(2)23-15-16-24-25(14-13-18-28(23,24)8)31-32(10,11)26(3,4)5/h12,17,19,21-25H,1,13-16,18,20H2,2-11H3/b19-17+/t21-,22?,23-,24+,25+,28-/m1/s1
• InChIKey: YIHXBMGCWWKWJJ-LJGKKWKJSA-N
• XLogP: 7.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.81
LogP ≤ 5	7.99
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 [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 10576119) is [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C=CC(/C=C/C(C)(C)OCOC)[C@@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.

What is the InChIKey of [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is YIHXBMGCWWKWJJ-LJGKKWKJSA-N. The full InChI is InChI=1S/C28H52O3Si/c1-12-22(17-19-27(6,7)30-20-29-9)21(2)23-15-16-24-25(14-13-18-28(23,24)8)31-32(10,11)26(3,4)5/h12,17,19,21-25H,1,13-16,18,20H2,2-11H3/b19-17+/t21-,22?,23-,24+,25+,28-/m1/s1.

What are the key properties of [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

[(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 464.81 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3aR,4S,7aR)-1-[(E,2R,3R)-3-ethenyl-6-(methoxymethoxy)-6-methylhept-4-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10576119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).