dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate

C17H34O5Si — CID 87206560

IUPACdimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate
SMILESCOC(=O)CCC(O[Si](C)(C)C(C)(C)CC(C)(C)C)C(=O)OC
InChIInChI=1S/C17H34O5Si/c1-16(2,3)12-17(4,5)23(8,9)22-13(15(19)21-7)10-11-14(18)20-6/h13H,10-12H2,1-9H3
InChIKeyPUPUMMBVSCCWOS-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.92
Rot. Bonds8

About dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate

dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate (PubChem CID 87206560) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate.

Molecular Properties

Compound Namedimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate
PubChem CID87206560
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Namedimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate
SMILESCOC(=O)CCC(O[Si](C)(C)C(C)(C)CC(C)(C)C)C(=O)OC
InChIInChI=1S/C17H34O5Si/c1-16(2,3)12-17(4,5)23(8,9)22-13(15(19)21-7)10-11-14(18)20-6/h13H,10-12H2,1-9H3
InChIKeyPUPUMMBVSCCWOS-UHFFFAOYSA-N
XLogP3.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.92
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 dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate?
The IUPAC name of dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate (CID 87206560) is dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate.
What is the SMILES notation for dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate?
The canonical SMILES for dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate is COC(=O)CCC(O[Si](C)(C)C(C)(C)CC(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate?
The InChIKey is PUPUMMBVSCCWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-16(2,3)12-17(4,5)23(8,9)22-13(15(19)21-7)10-11-14(18)20-6/h13H,10-12H2,1-9H3.
What are the key properties of dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate?
dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate has a molecular weight of 346.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate is sourced from PubChem (CID 87206560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).