methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate

C14H28O3Si — CID 11558120

IUPACmethyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
SMILESC=CC(O[Si](CC)(CC)CC)C(C)(C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-8-12(14(5,6)13(15)16-7)17-18(9-2,10-3)11-4/h8,12H,1,9-11H2,2-7H3
InChIKeyLTLDPLGRYFRISD-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds8

About methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate

methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate (PubChem CID 11558120) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
PubChem CID11558120
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
SMILESC=CC(O[Si](CC)(CC)CC)C(C)(C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-8-12(14(5,6)13(15)16-7)17-18(9-2,10-3)11-4/h8,12H,1,9-11H2,2-7H3
InChIKeyLTLDPLGRYFRISD-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate?
The IUPAC name of methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate (CID 11558120) is methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate?
The canonical SMILES for methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate is C=CC(O[Si](CC)(CC)CC)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate?
The InChIKey is LTLDPLGRYFRISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-12(14(5,6)13(15)16-7)17-18(9-2,10-3)11-4/h8,12H,1,9-11H2,2-7H3.
What are the key properties of methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate?
methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate is sourced from PubChem (CID 11558120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).