4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate

C18H34O4Si — CID 19063342

IUPAC4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC)C(=O)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-13(12-14(19)21-11)15(20)22-23(16(2,3)4,17(5,6)7)18(8,9)10/h1,12H2,2-11H3
InChIKeyJUAHEBZRKIKNHA-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.99
Rot. Bonds4

About 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate

4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate (PubChem CID 19063342) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate
PubChem CID19063342
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC)C(=O)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-13(12-14(19)21-11)15(20)22-23(16(2,3)4,17(5,6)7)18(8,9)10/h1,12H2,2-11H3
InChIKeyJUAHEBZRKIKNHA-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate?
The IUPAC name of 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate (CID 19063342) is 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate.
What is the SMILES notation for 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate?
The canonical SMILES for 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate is C=C(CC(=O)OC)C(=O)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate?
The InChIKey is JUAHEBZRKIKNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-13(12-14(19)21-11)15(20)22-23(16(2,3)4,17(5,6)7)18(8,9)10/h1,12H2,2-11H3.
What are the key properties of 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate?
4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate has a molecular weight of 342.55 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-tritert-butylsilyl 2-methylidenebutanedioate is sourced from PubChem (CID 19063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).