methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate

C15H30O3Si — CID 131727095

IUPACmethyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate
SMILESC=CC(C(C)(C)O[SiH2]C(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-10-11(14(5,6)12(16)17-9)15(7,8)18-19-13(2,3)4/h10-11H,1,19H2,2-9H3
InChIKeyURDXPAJDMHKNEP-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.09
Rot. Bonds6

About methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate

methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate (PubChem CID 131727095) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate
PubChem CID131727095
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate
SMILESC=CC(C(C)(C)O[SiH2]C(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-10-11(14(5,6)12(16)17-9)15(7,8)18-19-13(2,3)4/h10-11H,1,19H2,2-9H3
InChIKeyURDXPAJDMHKNEP-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.09
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 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate?
The IUPAC name of methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate (CID 131727095) is methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate.
What is the SMILES notation for methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate?
The canonical SMILES for methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate is C=CC(C(C)(C)O[SiH2]C(C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate?
The InChIKey is URDXPAJDMHKNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-10-11(14(5,6)12(16)17-9)15(7,8)18-19-13(2,3)4/h10-11H,1,19H2,2-9H3.
What are the key properties of methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate?
methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate has a molecular weight of 286.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-tert-butylsilyloxypropan-2-yl)-2,2-dimethylpent-4-enoate is sourced from PubChem (CID 131727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).