1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone

C21H40O3Si — CID 11624849

About 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone

1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone (PubChem CID 11624849) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
• PubChem CID: 11624849
• Molecular Formula: C21H40O3Si
• Molecular Weight: 368.63 g/mol
• Exact Mass: 368.27
• IUPAC Name: 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
• SMILES: C=CC[C@@H]1CC[C@@H](C(C)=O)[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1
• InChI: InChI=1S/C21H40O3Si/c1-9-10-19-11-12-20(18(8)22)21(24-19)13-14-23-25(15(2)3,16(4)5)17(6)7/h9,15-17,19-21H,1,10-14H2,2-8H3/t19-,20+,21+/m1/s1
• InChIKey: AZDRHNWEZIOGDV-HKBOAZHASA-N
• XLogP: 5.90
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.63
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone?

The IUPAC name of 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone (CID 11624849) is 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone.

What is the SMILES notation for 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone?

The canonical SMILES for 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone is C=CC[C@@H]1CC[C@@H](C(C)=O)[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1.

What is the InChIKey of 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone?

The InChIKey is AZDRHNWEZIOGDV-HKBOAZHASA-N. The full InChI is InChI=1S/C21H40O3Si/c1-9-10-19-11-12-20(18(8)22)21(24-19)13-14-23-25(15(2)3,16(4)5)17(6)7/h9,15-17,19-21H,1,10-14H2,2-8H3/t19-,20+,21+/m1/s1.

What are the key properties of 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone?

1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone has a molecular weight of 368.63 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone is sourced from PubChem (CID 11624849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).