dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate

C15H28O5Si — CID 56629940

IUPACdimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate
SMILESCOC(=O)C(=CC(C)(C)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(8,9)20-11(12(16)18-6)10-15(4,5)13(17)19-7/h10H,1-9H3
InChIKeyMQJQKKXBDLMFQC-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.26
Rot. Bonds5

About dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate

dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate (PubChem CID 56629940) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate.

Molecular Properties

Compound Namedimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate
PubChem CID56629940
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Namedimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate
SMILESCOC(=O)C(=CC(C)(C)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(8,9)20-11(12(16)18-6)10-15(4,5)13(17)19-7/h10H,1-9H3
InChIKeyMQJQKKXBDLMFQC-UHFFFAOYSA-N
XLogP3.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate?
The IUPAC name of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate (CID 56629940) is dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate.
What is the SMILES notation for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate?
The canonical SMILES for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate is COC(=O)C(=CC(C)(C)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate?
The InChIKey is MQJQKKXBDLMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-14(2,3)21(8,9)20-11(12(16)18-6)10-15(4,5)13(17)19-7/h10H,1-9H3.
What are the key properties of dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate?
dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate has a molecular weight of 316.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enedioate is sourced from PubChem (CID 56629940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).