[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane

C30H48N4OSi — CID 156687070

About [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane

[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 156687070) has the molecular formula C30H48N4OSi and a molecular weight of 508.83 g/mol. Its IUPAC name is [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 156687070
• Molecular Formula: C30H48N4OSi
• Molecular Weight: 508.83 g/mol
• Exact Mass: 508.36
• IUPAC Name: [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: C=C1CC[C@H]2[C@H](Cn3ccnc3)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CO[Si](C)(C)C(C)(C)C)CC[C@]12C
• InChI: InChI=1S/C30H48N4OSi/c1-21-9-10-25-24(18-34-14-13-31-20-34)26(11-12-29(21,25)5)30(6)16-22-17-32-33-27(22)15-23(30)19-35-36(7,8)28(2,3)4/h13-14,17,20,23-26H,1,9-12,15-16,18-19H2,2-8H3,(H,32,33)/t23-,24+,25+,26+,29-,30+/m1/s1
• InChIKey: GZIQDKMKZURWDU-NQEIAOBCSA-N
• XLogP: 7.05
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.83
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 156687070) is [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2[C@H](Cn3ccnc3)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CO[Si](C)(C)C(C)(C)C)CC[C@]12C.

What is the InChIKey of [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is GZIQDKMKZURWDU-NQEIAOBCSA-N. The full InChI is InChI=1S/C30H48N4OSi/c1-21-9-10-25-24(18-34-14-13-31-20-34)26(11-12-29(21,25)5)30(6)16-22-17-32-33-27(22)15-23(30)19-35-36(7,8)28(2,3)4/h13-14,17,20,23-26H,1,9-12,15-16,18-19H2,2-8H3,(H,32,33)/t23-,24+,25+,26+,29-,30+/m1/s1.

What are the key properties of [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane?

[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 508.83 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(imidazol-1-ylmethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 156687070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).