dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C13H26O5Si — CID 560716

IUPACdimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-11(14)16-4)9-12(15)17-5/h10H,8-9H2,1-7H3
InChIKeyFWFWHMYZKRZNTL-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.50
Rot. Bonds6

About dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 560716) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Namedimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID560716
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namedimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-11(14)16-4)9-12(15)17-5/h10H,8-9H2,1-7H3
InChIKeyFWFWHMYZKRZNTL-UHFFFAOYSA-N
XLogP2.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.50
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 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 560716) is dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate is COC(=O)CC(CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is FWFWHMYZKRZNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-11(14)16-4)9-12(15)17-5/h10H,8-9H2,1-7H3.
What are the key properties of dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 290.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 560716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).