1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate

C12H26O6Si2 — CID 123375883

IUPAC1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate
SMILESCOC(=O)CCC(O[SiH2]C)(O[SiH2]C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26O6Si2/c1-11(2,3)16-10(14)12(17-19-5,18-20-6)8-7-9(13)15-4/h7-8,19-20H2,1-6H3
InChIKeyGFXOYTQMFBCDPW-UHFFFAOYSA-N
MW322.51 g/mol
LogP0.27
Rot. Bonds8

About 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate

1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate (PubChem CID 123375883) has the molecular formula C12H26O6Si2 and a molecular weight of 322.51 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate
PubChem CID123375883
Molecular FormulaC12H26O6Si2
Molecular Weight322.51 g/mol
Exact Mass322.13
IUPAC Name1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate
SMILESCOC(=O)CCC(O[SiH2]C)(O[SiH2]C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26O6Si2/c1-11(2,3)16-10(14)12(17-19-5,18-20-6)8-7-9(13)15-4/h7-8,19-20H2,1-6H3
InChIKeyGFXOYTQMFBCDPW-UHFFFAOYSA-N
XLogP0.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 87206553
1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 91394695
1-O-tert-butyl 5-O-methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 164851616
Dimethyl 2-methyl-2-trimethylsilyloxypentanedioate
CID 11065252

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate (CID 123375883) is 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate is COC(=O)CCC(O[SiH2]C)(O[SiH2]C)C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate?
The InChIKey is GFXOYTQMFBCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si2/c1-11(2,3)16-10(14)12(17-19-5,18-20-6)8-7-9(13)15-4/h7-8,19-20H2,1-6H3.
What are the key properties of 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate?
1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate has a molecular weight of 322.51 g/mol, XLogP of 0.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate is sourced from PubChem (CID 123375883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).