4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate

C17H36O4Si4 — CID 87206657

IUPAC4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate
SMILESC=CCOC(=O)CC(=C)C(=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si4/c1-12-13-20-16(18)14-15(2)17(19)21-25(22(3,4)5,23(6,7)8)24(9,10)11/h12H,1-2,13-14H2,3-11H3
InChIKeyNWKJQMHOCFFWRE-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.40
Rot. Bonds9

About 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate

4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate (PubChem CID 87206657) has the molecular formula C17H36O4Si4 and a molecular weight of 416.82 g/mol. Its IUPAC name is 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate
PubChem CID87206657
Molecular FormulaC17H36O4Si4
Molecular Weight416.82 g/mol
Exact Mass416.17
IUPAC Name4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate
SMILESC=CCOC(=O)CC(=C)C(=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si4/c1-12-13-20-16(18)14-15(2)17(19)21-25(22(3,4)5,23(6,7)8)24(9,10)11/h12H,1-2,13-14H2,3-11H3
InChIKeyNWKJQMHOCFFWRE-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate?
The IUPAC name of 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate (CID 87206657) is 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate.
What is the SMILES notation for 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate?
The canonical SMILES for 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate is C=CCOC(=O)CC(=C)C(=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate?
The InChIKey is NWKJQMHOCFFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si4/c1-12-13-20-16(18)14-15(2)17(19)21-25(22(3,4)5,23(6,7)8)24(9,10)11/h12H,1-2,13-14H2,3-11H3.
What are the key properties of 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate?
4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate has a molecular weight of 416.82 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-prop-2-enyl 1-O-tris(trimethylsilyl)silyl 2-methylidenebutanedioate is sourced from PubChem (CID 87206657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).