dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

C16H34O4Si2 — CID 10807574

IUPACdipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-11(2)19-15(17)13(21(5,6)7)14(22(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1
InChIKeyNYNAOIUWKKFSPO-ZIAGYGMSSA-N
MW346.62 g/mol
LogP4.31
Rot. Bonds7

About dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (PubChem CID 10807574) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
PubChem CID10807574
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namedipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-11(2)19-15(17)13(21(5,6)7)14(22(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1
InChIKeyNYNAOIUWKKFSPO-ZIAGYGMSSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10745486
Diethyl 2,3-bis(trimethylsilyl)butanedioate
CID 21943931
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 11135496
dihexyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10550612
dipropan-2-yl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10665293
dimethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10779895
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2,3-bis(trimethylsilyl)butanedioate
CID 85253467
diethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10543616
dimethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10637286
ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10667161
diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10829399

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (CID 10807574) is dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is CC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is NYNAOIUWKKFSPO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-11(2)19-15(17)13(21(5,6)7)14(22(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1.
What are the key properties of dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 10807574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).