(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate

C17H32O3Si2 — CID 67804322

IUPAC(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate
SMILESCC(=CCCO[Si](C)(C)C)C(=O)OC1=CC([Si](C)(C)C)CC1
InChIInChI=1S/C17H32O3Si2/c1-14(9-8-12-19-22(5,6)7)17(18)20-15-10-11-16(13-15)21(2,3)4/h9,13,16H,8,10-12H2,1-7H3
InChIKeyVTELFLZTGWGCGQ-UHFFFAOYSA-N
MW340.61 g/mol
LogP5.10
Rot. Bonds7

About (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate

(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate (PubChem CID 67804322) has the molecular formula C17H32O3Si2 and a molecular weight of 340.61 g/mol. Its IUPAC name is (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate.

Molecular Properties

Compound Name(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate
PubChem CID67804322
Molecular FormulaC17H32O3Si2
Molecular Weight340.61 g/mol
Exact Mass340.19
IUPAC Name(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate
SMILESCC(=CCCO[Si](C)(C)C)C(=O)OC1=CC([Si](C)(C)C)CC1
InChIInChI=1S/C17H32O3Si2/c1-14(9-8-12-19-22(5,6)7)17(18)20-15-10-11-16(13-15)21(2,3)4/h9,13,16H,8,10-12H2,1-7H3
InChIKeyVTELFLZTGWGCGQ-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.61
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate?
The IUPAC name of (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate (CID 67804322) is (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate.
What is the SMILES notation for (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate?
The canonical SMILES for (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate is CC(=CCCO[Si](C)(C)C)C(=O)OC1=CC([Si](C)(C)C)CC1.
What is the InChIKey of (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate?
The InChIKey is VTELFLZTGWGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si2/c1-14(9-8-12-19-22(5,6)7)17(18)20-15-10-11-16(13-15)21(2,3)4/h9,13,16H,8,10-12H2,1-7H3.
What are the key properties of (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate?
(3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate has a molecular weight of 340.61 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-trimethylsilylcyclopenten-1-yl) 2-methyl-5-trimethylsilyloxypent-2-enoate is sourced from PubChem (CID 67804322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).