dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate

C19H36O5Si — CID 15259247

IUPACdipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
SMILESC=CC[C@@H](C(=O)OC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C19H36O5Si/c1-11-12-15(17(20)22-13(2)3)16(18(21)23-14(4)5)24-25(9,10)19(6,7)8/h11,13-16H,1,12H2,2-10H3/t15-,16-/m1/s1
InChIKeyXVWVSIRJDYGZJJ-HZPDHXFCSA-N
MW372.58 g/mol
LogP4.47
Rot. Bonds9

About dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate

dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate (PubChem CID 15259247) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
PubChem CID15259247
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Namedipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
SMILESC=CC[C@@H](C(=O)OC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C19H36O5Si/c1-11-12-15(17(20)22-13(2)3)16(18(21)23-14(4)5)24-25(9,10)19(6,7)8/h11,13-16H,1,12H2,2-10H3/t15-,16-/m1/s1
InChIKeyXVWVSIRJDYGZJJ-HZPDHXFCSA-N
XLogP4.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.47
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

diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
diethyl (2R,3R)-2-prop-2-enyl-3-trimethylsilyloxybutanedioate
CID 14934286
dipropan-2-yl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 101691901
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
1-O-propan-2-yl 4-O-propyl 2-ethoxy-3-prop-2-enylbutanedioate
CID 88093192
2-[2-[2-[4-[2-[Butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]pentoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid
CID 89811916
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
CID 10735215
ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate
CID 10874955
diethyl (2R,3R)-2-acetyloxy-3-prop-2-enylbutanedioate
CID 10880239
diethyl (2R,3S)-2-acetyloxy-3-prop-2-enylbutanedioate
CID 21626140

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The IUPAC name of dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate (CID 15259247) is dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate.
What is the SMILES notation for dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The canonical SMILES for dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate is C=CC[C@@H](C(=O)OC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The InChIKey is XVWVSIRJDYGZJJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-11-12-15(17(20)22-13(2)3)16(18(21)23-14(4)5)24-25(9,10)19(6,7)8/h11,13-16H,1,12H2,2-10H3/t15-,16-/m1/s1.
What are the key properties of dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate has a molecular weight of 372.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate is sourced from PubChem (CID 15259247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).