methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate

C15H30O5Si — CID 90371732

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
SMILESCOC(=O)CC(CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)20-12(10-13(16)17-5)11-15(4)18-8-9-19-15/h12H,8-11H2,1-7H3
InChIKeyLGPUKRDCXJJJQK-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.09
Rot. Bonds6

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate (PubChem CID 90371732) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
PubChem CID90371732
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
SMILESCOC(=O)CC(CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)20-12(10-13(16)17-5)11-15(4)18-8-9-19-15/h12H,8-11H2,1-7H3
InChIKeyLGPUKRDCXJJJQK-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate (CID 90371732) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate is COC(=O)CC(CC1(C)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The InChIKey is LGPUKRDCXJJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)20-12(10-13(16)17-5)11-15(4)18-8-9-19-15/h12H,8-11H2,1-7H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate has a molecular weight of 318.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate is sourced from PubChem (CID 90371732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).