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

C24H50O6Si2 — CID 139989373

IUPACdipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCCCCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCCCCC
InChIInChI=1S/C24H50O6Si2/c1-11-15-17-19-27-21(25)23(13-3,29-31(5,6)7)24(14-4,30-32(8,9)10)22(26)28-20-18-16-12-2/h11-20H2,1-10H3
InChIKeyZRWGKUHJSNMOFD-UHFFFAOYSA-N
MW490.83 g/mol
LogP6.45
Rot. Bonds17

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

dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989373) has the molecular formula C24H50O6Si2 and a molecular weight of 490.83 g/mol. Its IUPAC name is dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namedipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989373
Molecular FormulaC24H50O6Si2
Molecular Weight490.83 g/mol
Exact Mass490.31
IUPAC Namedipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCCCCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCCCCC
InChIInChI=1S/C24H50O6Si2/c1-11-15-17-19-27-21(25)23(13-3,29-31(5,6)7)24(14-4,30-32(8,9)10)22(26)28-20-18-16-12-2/h11-20H2,1-10H3
InChIKeyZRWGKUHJSNMOFD-UHFFFAOYSA-N
XLogP6.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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
Diethyl 2-[3-[diethoxy(ethyl)silyl]propoxy]-2-propylbutanedioate
CID 124027086
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
Dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate
CID 139989257
Dipentyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989259
Dibutyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989264
Dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989271
Bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989273

Frequently Asked Questions

What is the IUPAC name of dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989373) is dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCCCCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCCCCC.
What is the InChIKey of dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is ZRWGKUHJSNMOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O6Si2/c1-11-15-17-19-27-21(25)23(13-3,29-31(5,6)7)24(14-4,30-32(8,9)10)22(26)28-20-18-16-12-2/h11-20H2,1-10H3.
What are the key properties of dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 490.83 g/mol, XLogP of 6.45, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).