1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate

C19H36O5Si2 — CID 20661382

IUPAC1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate
SMILESCCC(C)(C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C19H36O5Si2/c1-10-19(3,15-13(2)16(20)24-17(15)21)18(22)23-14(11-25(4,5)6)12-26(7,8)9/h13-15H,10-12H2,1-9H3
InChIKeyUFPOFGXQLRAYCV-UHFFFAOYSA-N
MW400.66 g/mol
LogP4.33
Rot. Bonds8

About 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate

1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate (PubChem CID 20661382) has the molecular formula C19H36O5Si2 and a molecular weight of 400.66 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate
PubChem CID20661382
Molecular FormulaC19H36O5Si2
Molecular Weight400.66 g/mol
Exact Mass400.21
IUPAC Name1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate
SMILESCCC(C)(C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C19H36O5Si2/c1-10-19(3,15-13(2)16(20)24-17(15)21)18(22)23-14(11-25(4,5)6)12-26(7,8)9/h13-15H,10-12H2,1-9H3
InChIKeyUFPOFGXQLRAYCV-UHFFFAOYSA-N
XLogP4.33
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate?
The IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate (CID 20661382) is 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate?
The canonical SMILES for 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate is CCC(C)(C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C)C1C(=O)OC(=O)C1C.
What is the InChIKey of 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate?
The InChIKey is UFPOFGXQLRAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5Si2/c1-10-19(3,15-13(2)16(20)24-17(15)21)18(22)23-14(11-25(4,5)6)12-26(7,8)9/h13-15H,10-12H2,1-9H3.
What are the key properties of 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate?
1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate has a molecular weight of 400.66 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)propan-2-yl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)butanoate is sourced from PubChem (CID 20661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).