diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate

C14H26O5Si — CID 14934286

IUPACdiethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate
SMILESC=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5Si/c1-7-10-11(13(15)17-8-2)12(14(16)18-9-3)19-20(4,5)6/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1
InChIKeyGSKOKZGKSVXQIJ-VXGBXAGGSA-N
MW302.44 g/mol
LogP2.53
Rot. Bonds9

About diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate

diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate (PubChem CID 14934286) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate
PubChem CID14934286
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Namediethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate
SMILESC=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5Si/c1-7-10-11(13(15)17-8-2)12(14(16)18-9-3)19-20(4,5)6/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1
InChIKeyGSKOKZGKSVXQIJ-VXGBXAGGSA-N
XLogP2.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S,3R)-2-prop-2-enoxy-3-prop-2-enylbutanedioate
CID 11528852
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
dipropan-2-yl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 101691901
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
Dipropan-2-yl 2-ethoxy-3-prop-2-enylbutanedioate
CID 22950084
dipropan-2-yl (2S,3R)-2-ethoxy-3-prop-2-enylbutanedioate
CID 57160954
dipropan-2-yl (3R)-2-ethoxy-3-prop-2-enylbutanedioate
CID 59875742
(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid
CID 59875775
dilithium;(3R)-2-ethoxy-3-prop-2-enylbutanedioate
CID 59875798
1-O-propan-2-yl 4-O-propyl 2-ethoxy-3-prop-2-enylbutanedioate
CID 88093192
diethyl (2R,3R)-2-acetyloxy-3-prop-2-enylbutanedioate
CID 10880239
dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 15259247

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate?
The IUPAC name of diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate (CID 14934286) is diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate.
What is the SMILES notation for diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate?
The canonical SMILES for diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate is C=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate?
The InChIKey is GSKOKZGKSVXQIJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-7-10-11(13(15)17-8-2)12(14(16)18-9-3)19-20(4,5)6/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1.
What are the key properties of diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate?
diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate has a molecular weight of 302.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate is sourced from PubChem (CID 14934286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).