dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane

C38H46N2O2S2Si — CID 162283527

About dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane

dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane (PubChem CID 162283527) has the molecular formula C38H46N2O2S2Si and a molecular weight of 655.02 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane.

Molecular Properties

• Compound Name: dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane
• PubChem CID: 162283527
• Molecular Formula: C38H46N2O2S2Si
• Molecular Weight: 655.02 g/mol
• Exact Mass: 654.28
• IUPAC Name: dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane
• SMILES: CC1=CC2C(CC(c3ccc(C)o3)C2[Si](C)(C)C2C(c3ccc(C)o3)CC3C2C=C(C)N3c2ccc(C)s2)N1c1ccc(C)s1
• InChI: InChI=1S/C38H46N2O2S2Si/c1-21-17-27-31(39(21)35-15-11-25(5)43-35)19-29(33-13-9-23(3)41-33)37(27)45(7,8)38-28-18-22(2)40(36-16-12-26(6)44-36)32(28)20-30(38)34-14-10-24(4)42-34/h9-18,27-32,37-38H,19-20H2,1-8H3
• InChIKey: DKLGSMFUCMHAIW-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 32.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.02
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane?

The IUPAC name of dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane (CID 162283527) is dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane.

What is the SMILES notation for dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane?

The canonical SMILES for dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane is CC1=CC2C(CC(c3ccc(C)o3)C2[Si](C)(C)C2C(c3ccc(C)o3)CC3C2C=C(C)N3c2ccc(C)s2)N1c1ccc(C)s1.

What is the InChIKey of dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane?

The InChIKey is DKLGSMFUCMHAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2O2S2Si/c1-21-17-27-31(39(21)35-15-11-25(5)43-35)19-29(33-13-9-23(3)41-33)37(27)45(7,8)38-28-18-22(2)40(36-16-12-26(6)44-36)32(28)20-30(38)34-14-10-24(4)42-34/h9-18,27-32,37-38H,19-20H2,1-8H3.

What are the key properties of dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane?

dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane has a molecular weight of 655.02 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane is sourced from PubChem (CID 162283527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).