bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate

C22H44O5Si2 — CID 91697216

IUPACbis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)26-19(24)15-13-11-12-14-18(23)16-17-20(25)27-29(9,10)22(4,5)6/h11-17H2,1-10H3
InChIKeyRCKQMBVGKSMJCW-UHFFFAOYSA-N
MW444.76 g/mol
LogP6.38
Rot. Bonds11

About bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate

bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate (PubChem CID 91697216) has the molecular formula C22H44O5Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate
PubChem CID91697216
Molecular FormulaC22H44O5Si2
Molecular Weight444.76 g/mol
Exact Mass444.27
IUPAC Namebis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)26-19(24)15-13-11-12-14-18(23)16-17-20(25)27-29(9,10)22(4,5)6/h11-17H2,1-10H3
InChIKeyRCKQMBVGKSMJCW-UHFFFAOYSA-N
XLogP6.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bis(trimethylsilyl) sebacate
CID 519558
Bis(trimethylsilyl) azelaate
CID 519492
Bis(trimethylsilyl) undecanedioate
CID 552527
Dodecanedioic acid, bis(trimethylsilyl) ester
CID 519943
1,14-Tetradecandioic acid, bis(trimethylsilyl) ester
CID 523706
tert-Butyl(dimethyl)silyl nonanoate
CID 528586
1,3-Bis(10-carbomethoxydecyl)tetramethyldisiloxane
CID 22278210
Nonadecanoic acid, dimethyl(isopropyl)silyl ester
CID 631970
[Dimethyl(octanoyloxy)silyl] octanoate
CID 21750485
[Dimethyl(tetradecanoyloxy)silyl] tetradecanoate
CID 21750489
Di(Decanoyloxy)Dimethylsilane
CID 21750490
[Dodecanoyloxy(dimethyl)silyl] dodecanoate
CID 21750492

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate (CID 91697216) is bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCCCCC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate?
The InChIKey is RCKQMBVGKSMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)26-19(24)15-13-11-12-14-18(23)16-17-20(25)27-29(9,10)22(4,5)6/h11-17H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate?
bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate has a molecular weight of 444.76 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 4-oxodecanedioate is sourced from PubChem (CID 91697216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).