methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate

C15H33O7PSi — CID 138969798

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)OCP(=O)(OC)OC
InChIInChI=1S/C15H33O7PSi/c1-14(2,3)24(8,9)22-11-10-15(4,13(16)18-5)21-12-23(17,19-6)20-7/h10-12H2,1-9H3
InChIKeyKKGXAWGWCVYKOI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.79
Rot. Bonds10

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate (PubChem CID 138969798) has the molecular formula C15H33O7PSi and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate
PubChem CID138969798
Molecular FormulaC15H33O7PSi
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)OCP(=O)(OC)OC
InChIInChI=1S/C15H33O7PSi/c1-14(2,3)24(8,9)22-11-10-15(4,13(16)18-5)21-12-23(17,19-6)20-7/h10-12H2,1-9H3
InChIKeyKKGXAWGWCVYKOI-UHFFFAOYSA-N
XLogP3.79
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
CID 59249428
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
CID 131746645
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate (CID 138969798) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate is COC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)OCP(=O)(OC)OC.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate?
The InChIKey is KKGXAWGWCVYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O7PSi/c1-14(2,3)24(8,9)22-11-10-15(4,13(16)18-5)21-12-23(17,19-6)20-7/h10-12H2,1-9H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate has a molecular weight of 384.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate is sourced from PubChem (CID 138969798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).