methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate

C14H30O5Si — CID 167350243

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
SMILESCOC(=O)CC(CC(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-11(9-12(15)16-4)10-13(17-5)18-6/h11,13H,9-10H2,1-8H3
InChIKeyCCUSWWSFDRGSHR-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.95
Rot. Bonds8

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate (PubChem CID 167350243) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
PubChem CID167350243
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate
SMILESCOC(=O)CC(CC(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-11(9-12(15)16-4)10-13(17-5)18-6/h11,13H,9-10H2,1-8H3
InChIKeyCCUSWWSFDRGSHR-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate (CID 167350243) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate is COC(=O)CC(CC(OC)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
The InChIKey is CCUSWWSFDRGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-11(9-12(15)16-4)10-13(17-5)18-6/h11,13H,9-10H2,1-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanoate has a molecular weight of 306.48 g/mol, XLogP of 2.95, 8 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-5,5-dimethoxypentanoate is sourced from PubChem (CID 167350243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).