dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate

C23H50O7Si4 — CID 139808384

IUPACdipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate
SMILESC=C(C(=O)OC(C)C)C(C(=O)OC(C)C)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O7Si4/c1-16-20(21(23(25)27-18(4)5)19(6)22(24)26-17(2)3)34(28-31(7,8)9,29-32(10,11)12)30-33(13,14)15/h17-18,20-21H,6,16H2,1-5,7-15H3
InChIKeyHXYUWAGXZPZVTC-UHFFFAOYSA-N
MW550.99 g/mol
LogP6.34
Rot. Bonds14

About dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate

dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate (PubChem CID 139808384) has the molecular formula C23H50O7Si4 and a molecular weight of 550.99 g/mol. Its IUPAC name is dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate
PubChem CID139808384
Molecular FormulaC23H50O7Si4
Molecular Weight550.99 g/mol
Exact Mass550.26
IUPAC Namedipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate
SMILESC=C(C(=O)OC(C)C)C(C(=O)OC(C)C)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O7Si4/c1-16-20(21(23(25)27-18(4)5)19(6)22(24)26-17(2)3)34(28-31(7,8)9,29-32(10,11)12)30-33(13,14)15/h17-18,20-21H,6,16H2,1-5,7-15H3
InChIKeyHXYUWAGXZPZVTC-UHFFFAOYSA-N
XLogP6.34
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.99
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate?
The IUPAC name of dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate (CID 139808384) is dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate.
What is the SMILES notation for dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate?
The canonical SMILES for dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate is C=C(C(=O)OC(C)C)C(C(=O)OC(C)C)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate?
The InChIKey is HXYUWAGXZPZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O7Si4/c1-16-20(21(23(25)27-18(4)5)19(6)22(24)26-17(2)3)34(28-31(7,8)9,29-32(10,11)12)30-33(13,14)15/h17-18,20-21H,6,16H2,1-5,7-15H3.
What are the key properties of dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate?
dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate has a molecular weight of 550.99 g/mol, XLogP of 6.34, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate is sourced from PubChem (CID 139808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).