bis[tert-butyl(dimethyl)silyl] heptanedioate

C19H40O4Si2 — CID 552524

IUPACbis[tert-butyl(dimethyl)silyl] heptanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16(20)14-12-11-13-15-17(21)23-25(9,10)19(4,5)6/h11-15H2,1-10H3
InChIKeyBBMNMSUSTQGVGW-UHFFFAOYSA-N
MW388.70 g/mol
LogP6.03
Rot. Bonds8

About bis[tert-butyl(dimethyl)silyl] heptanedioate

bis[tert-butyl(dimethyl)silyl] heptanedioate (PubChem CID 552524) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] heptanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] heptanedioate
PubChem CID552524
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Namebis[tert-butyl(dimethyl)silyl] heptanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16(20)14-12-11-13-15-17(21)23-25(9,10)19(4,5)6/h11-15H2,1-10H3
InChIKeyBBMNMSUSTQGVGW-UHFFFAOYSA-N
XLogP6.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] heptanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] heptanedioate (CID 552524) is bis[tert-butyl(dimethyl)silyl] heptanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] heptanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] heptanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] heptanedioate?
The InChIKey is BBMNMSUSTQGVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16(20)14-12-11-13-15-17(21)23-25(9,10)19(4,5)6/h11-15H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] heptanedioate?
bis[tert-butyl(dimethyl)silyl] heptanedioate has a molecular weight of 388.70 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] heptanedioate is sourced from PubChem (CID 552524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).