(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine

C17H32O2Si — CID 134999409

About (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine

(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine (PubChem CID 134999409) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine.

Molecular Properties

• Compound Name: (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
• PubChem CID: 134999409
• Molecular Formula: C17H32O2Si
• Molecular Weight: 296.53 g/mol
• Exact Mass: 296.22
• IUPAC Name: (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
• SMILES: C/C=C/[C@@H]1C=C[C@H](CC(C)C)O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C17H32O2Si/c1-8-9-16-10-11-17(12-13(2)3)19-20(18-16,14(4)5)15(6)7/h8-11,13-17H,12H2,1-7H3/b9-8+/t16-,17-/m1/s1
• InChIKey: CTYJGPUNUYVCPO-PIIXRYACSA-N
• XLogP: 5.21
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	296.53
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine?

The IUPAC name of (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine (CID 134999409) is (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine.

What is the SMILES notation for (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine?

The canonical SMILES for (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine is C/C=C/[C@@H]1C=C[C@H](CC(C)C)O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine?

The InChIKey is CTYJGPUNUYVCPO-PIIXRYACSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-9-16-10-11-17(12-13(2)3)19-20(18-16,14(4)5)15(6)7/h8-11,13-17H,12H2,1-7H3/b9-8+/t16-,17-/m1/s1.

What are the key properties of (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine?

(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine has a molecular weight of 296.53 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine is sourced from PubChem (CID 134999409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).