2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate

C19H36O3Si — CID 14636389

About 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 14636389) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
• PubChem CID: 14636389
• Molecular Formula: C19H36O3Si
• Molecular Weight: 340.58 g/mol
• Exact Mass: 340.24
• IUPAC Name: 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
• SMILES: C=CC([C@H]1CC[C@H](C)[C@@H](CCOC(=O)C(C)(C)C)O1)[Si](C)(C)C
• InChI: InChI=1S/C19H36O3Si/c1-9-17(23(6,7)8)16-11-10-14(2)15(22-16)12-13-21-18(20)19(3,4)5/h9,14-17H,1,10-13H2,2-8H3/t14-,15+,16+,17?/m0/s1
• InChIKey: UBPKHJNSGWEVHM-MYAYHUAGSA-N
• XLogP: 5.04
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.58
LogP ≤ 5	5.04
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 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?

The IUPAC name of 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 14636389) is 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate.

What is the SMILES notation for 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?

The canonical SMILES for 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate is C=CC([C@H]1CC[C@H](C)[C@@H](CCOC(=O)C(C)(C)C)O1)[Si](C)(C)C.

What is the InChIKey of 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?

The InChIKey is UBPKHJNSGWEVHM-MYAYHUAGSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-17(23(6,7)8)16-11-10-14(2)15(22-16)12-13-21-18(20)19(3,4)5/h9,14-17H,1,10-13H2,2-8H3/t14-,15+,16+,17?/m0/s1.

What are the key properties of 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?

2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 340.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 14636389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).