bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

C22H46O6Si2 — CID 139989273

IUPACbis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)OCC(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC(C)C
InChIInChI=1S/C22H46O6Si2/c1-13-21(27-29(7,8)9,19(23)25-15-17(3)4)22(14-2,28-30(10,11)12)20(24)26-16-18(5)6/h17-18H,13-16H2,1-12H3
InChIKeyRDPZJYOOYKUWTJ-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.39
Rot. Bonds13

About bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989273) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989273
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Namebis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)OCC(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC(C)C
InChIInChI=1S/C22H46O6Si2/c1-13-21(27-29(7,8)9,19(23)25-15-17(3)4)22(14-2,28-30(10,11)12)20(24)26-16-18(5)6/h17-18H,13-16H2,1-12H3
InChIKeyRDPZJYOOYKUWTJ-UHFFFAOYSA-N
XLogP5.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
Isopropylmalic acid, O-(tert-butyldimethylsilyl)-, bis(tert-butyldimethylsilyl) ester
CID 91696672
Bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
Diethyl 2-[3-[diethoxy(ethyl)silyl]propoxy]-2-propylbutanedioate
CID 124027086
Ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate
CID 139796691
Dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989233
Diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
Dipropan-2-yl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989251
Dipentyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989259

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989273) is bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCC(O[Si](C)(C)C)(C(=O)OCC(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC(C)C.
What is the InChIKey of bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is RDPZJYOOYKUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-13-21(27-29(7,8)9,19(23)25-15-17(3)4)22(14-2,28-30(10,11)12)20(24)26-16-18(5)6/h17-18H,13-16H2,1-12H3.
What are the key properties of bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 462.78 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).