2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane

C37H46Si — CID 59637786

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane (PubChem CID 59637786) has the molecular formula C37H46Si and a molecular weight of 518.86 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane.

Molecular Properties

• Compound Name: 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane
• PubChem CID: 59637786
• Molecular Formula: C37H46Si
• Molecular Weight: 518.86 g/mol
• Exact Mass: 518.34
• IUPAC Name: 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane
• SMILES: C=CCC[Si](c1ccccc1)(C1CCC2C=CC=CC21)C1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21
• InChI: InChI=1S/C37H46Si/c1-6-7-23-38(29-14-9-8-10-15-29,35-22-18-27-13-11-12-16-30(27)35)36-33-24-26(2)17-20-31(33)32-21-19-28(25-34(32)36)37(3,4)5/h6,8-17,19-21,24-25,27,30-36H,1,7,18,22-23H2,2-5H3
• InChIKey: MXHJDRNDBMXNRT-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.86
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane?

The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane (CID 59637786) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane.

What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane?

The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane is C=CCC[Si](c1ccccc1)(C1CCC2C=CC=CC21)C1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21.

What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane?

The InChIKey is MXHJDRNDBMXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46Si/c1-6-7-23-38(29-14-9-8-10-15-29,35-22-18-27-13-11-12-16-30(27)35)36-33-24-26(2)17-20-31(33)32-21-19-28(25-34(32)36)37(3,4)5/h6,8-17,19-21,24-25,27,30-36H,1,7,18,22-23H2,2-5H3.

What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane?

2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane has a molecular weight of 518.86 g/mol, XLogP of 9.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-but-3-enyl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenylsilane is sourced from PubChem (CID 59637786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).