methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate

C15H30O3Si — CID 173005140

IUPACmethyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate
SMILESC=CC(C(O[SiH](C)C)C(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-10-11(15(5,6)13(16)17-7)12(14(2,3)4)18-19(8)9/h10-12,19H,1H2,2-9H3
InChIKeyGFIJRBVVZNOOTE-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.40
Rot. Bonds6

About methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate

methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate (PubChem CID 173005140) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate.

Molecular Properties

Compound Namemethyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate
PubChem CID173005140
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate
SMILESC=CC(C(O[SiH](C)C)C(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-10-11(15(5,6)13(16)17-7)12(14(2,3)4)18-19(8)9/h10-12,19H,1H2,2-9H3
InChIKeyGFIJRBVVZNOOTE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate?
The IUPAC name of methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate (CID 173005140) is methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate.
What is the SMILES notation for methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate?
The canonical SMILES for methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate is C=CC(C(O[SiH](C)C)C(C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate?
The InChIKey is GFIJRBVVZNOOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-10-11(15(5,6)13(16)17-7)12(14(2,3)4)18-19(8)9/h10-12,19H,1H2,2-9H3.
What are the key properties of methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate?
methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate has a molecular weight of 286.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate is sourced from PubChem (CID 173005140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).