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

C19H34O2Si — CID 134999408

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

(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine (PubChem CID 134999408) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (4S,7R)-4-cyclohexyl-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-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
• PubChem CID: 134999408
• Molecular Formula: C19H34O2Si
• Molecular Weight: 322.57 g/mol
• Exact Mass: 322.23
• IUPAC Name: (4S,7R)-4-cyclohexyl-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](C2CCCCC2)O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C19H34O2Si/c1-6-10-18-13-14-19(17-11-8-7-9-12-17)21-22(20-18,15(2)3)16(4)5/h6,10,13-19H,7-9,11-12H2,1-5H3/b10-6+/t18-,19-/m1/s1
• InChIKey: IWLXBXDJVKBFDP-CTDFLUCESA-N
• XLogP: 5.75
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.57
LogP ≤ 5	5.75
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-cyclohexyl-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-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine (CID 134999408) is (4S,7R)-4-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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](C2CCCCC2)O[Si](C(C)C)(C(C)C)O1.

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

The InChIKey is IWLXBXDJVKBFDP-CTDFLUCESA-N. The full InChI is InChI=1S/C19H34O2Si/c1-6-10-18-13-14-19(17-11-8-7-9-12-17)21-22(20-18,15(2)3)16(4)5/h6,10,13-19H,7-9,11-12H2,1-5H3/b10-6+/t18-,19-/m1/s1.

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

(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine has a molecular weight of 322.57 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine is sourced from PubChem (CID 134999408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).