[(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C28H52O3Si — CID 10528133

About [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10528133) has the molecular formula C28H52O3Si and a molecular weight of 464.81 g/mol. Its IUPAC name is [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10528133
• Molecular Formula: C28H52O3Si
• Molecular Weight: 464.81 g/mol
• Exact Mass: 464.37
• IUPAC Name: [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: COCOC(C)(C)CCC[C@H](C1=CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C1CC1
• InChI: InChI=1S/C28H52O3Si/c1-26(2,3)32(8,9)31-25-13-11-19-28(6)23(16-17-24(25)28)22(21-14-15-21)12-10-18-27(4,5)30-20-29-7/h16,21-22,24-25H,10-15,17-20H2,1-9H3/t22-,24-,25-,28+/m0/s1
• InChIKey: OUZXLCSAYNAXRA-JCUKEYOKSA-N
• XLogP: 8.11
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.81
LogP ≤ 5	8.11
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 [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 10528133) is [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is COCOC(C)(C)CCC[C@H](C1=CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C1CC1.

What is the InChIKey of [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is OUZXLCSAYNAXRA-JCUKEYOKSA-N. The full InChI is InChI=1S/C28H52O3Si/c1-26(2,3)32(8,9)31-25-13-11-19-28(6)23(16-17-24(25)28)22(21-14-15-21)12-10-18-27(4,5)30-20-29-7/h16,21-22,24-25H,10-15,17-20H2,1-9H3/t22-,24-,25-,28+/m0/s1.

What are the key properties of [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?

[(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 464.81 g/mol, XLogP of 8.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,4S,7aS)-1-[(1S)-1-cyclopropyl-5-(methoxymethoxy)-5-methylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10528133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).