3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate

C16H32O2Si — CID 89023482

IUPAC3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
SMILESCC(C)=CC(C)(C(=O)OCCC[Si](C)(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)12-16(5,14(3)4)15(17)18-10-9-11-19(6,7)8/h12,14H,9-11H2,1-8H3
InChIKeyKWPIPOZYDSSBTD-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.89
Rot. Bonds7

About 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate

3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate (PubChem CID 89023482) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
PubChem CID89023482
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
SMILESCC(C)=CC(C)(C(=O)OCCC[Si](C)(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)12-16(5,14(3)4)15(17)18-10-9-11-19(6,7)8/h12,14H,9-11H2,1-8H3
InChIKeyKWPIPOZYDSSBTD-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate?
The IUPAC name of 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate (CID 89023482) is 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate.
What is the SMILES notation for 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate?
The canonical SMILES for 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate is CC(C)=CC(C)(C(=O)OCCC[Si](C)(C)C)C(C)C.
What is the InChIKey of 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate?
The InChIKey is KWPIPOZYDSSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(2)12-16(5,14(3)4)15(17)18-10-9-11-19(6,7)8/h12,14H,9-11H2,1-8H3.
What are the key properties of 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate?
3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate has a molecular weight of 284.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate is sourced from PubChem (CID 89023482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).