1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C18H38O5Si2 — CID 13327279

IUPAC1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3
InChIKeySDOVSJFWHMOHLD-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.88
Rot. Bonds7

About 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 13327279) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID13327279
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3
InChIKeySDOVSJFWHMOHLD-UHFFFAOYSA-N
XLogP4.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.88
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 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 13327279) is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate is COC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is SDOVSJFWHMOHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3.
What are the key properties of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 390.67 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 13327279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).