2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane

C19H36OSi — CID 90806455

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane (PubChem CID 90806455) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
• PubChem CID: 90806455
• Molecular Formula: C19H36OSi
• Molecular Weight: 308.58 g/mol
• Exact Mass: 308.25
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
• SMILES: C=CCC[Si](OC1CC2CCCCC2C1)(C(C)C)C(C)C
• InChI: InChI=1S/C19H36OSi/c1-6-7-12-21(15(2)3,16(4)5)20-19-13-17-10-8-9-11-18(17)14-19/h6,15-19H,1,7-14H2,2-5H3
• InChIKey: XEINKFCOQRONPC-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	308.58
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?

The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane (CID 90806455) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane.

What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?

The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane is C=CCC[Si](OC1CC2CCCCC2C1)(C(C)C)C(C)C.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?

The InChIKey is XEINKFCOQRONPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-6-7-12-21(15(2)3,16(4)5)20-19-13-17-10-8-9-11-18(17)14-19/h6,15-19H,1,7-14H2,2-5H3.

What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane is sourced from PubChem (CID 90806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).