[(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

C25H44O4Si — CID 153438125

About [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 153438125) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 153438125
• Molecular Formula: C25H44O4Si
• Molecular Weight: 436.71 g/mol
• Exact Mass: 436.30
• IUPAC Name: [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
• SMILES: C=C=C(C)C[C@H](CCC1O[C@@H](COC(=O)C(C)(C)C)CC1=C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C25H44O4Si/c1-10-19(5)16-21(29-30(11-2,12-3)13-4)14-15-23-20(6)17-22(28-23)18-27-24(26)25(7,8)9/h21-23H,1,6,11-18H2,2-5,7-9H3/t21-,22+,23?/m0/s1
• InChIKey: VKGVAMVPTPPHAV-ZVTBYLAHSA-N
• XLogP: 6.58
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.71
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 153438125) is [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is C=C=C(C)C[C@H](CCC1O[C@@H](COC(=O)C(C)(C)C)CC1=C)O[Si](CC)(CC)CC.

What is the InChIKey of [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is VKGVAMVPTPPHAV-ZVTBYLAHSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-10-19(5)16-21(29-30(11-2,12-3)13-4)14-15-23-20(6)17-22(28-23)18-27-24(26)25(7,8)9/h21-23H,1,6,11-18H2,2-5,7-9H3/t21-,22+,23?/m0/s1.

What are the key properties of [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?

[(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 436.71 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 153438125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).