1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate

C14H26O5Si — CID 101356968

IUPAC1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5Si/c1-9-18-13(16)11(10(2)12(15)17-6)19-20(7,8)14(3,4)5/h11H,2,9H2,1,3-8H3
InChIKeyVZRAWLZWUMLHCS-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.67
Rot. Bonds6

About 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate

1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate (PubChem CID 101356968) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate
PubChem CID101356968
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5Si/c1-9-18-13(16)11(10(2)12(15)17-6)19-20(7,8)14(3,4)5/h11H,2,9H2,1,3-8H3
InChIKeyVZRAWLZWUMLHCS-UHFFFAOYSA-N
XLogP2.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate (CID 101356968) is 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate is C=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate?
The InChIKey is VZRAWLZWUMLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-9-18-13(16)11(10(2)12(15)17-6)19-20(7,8)14(3,4)5/h11H,2,9H2,1,3-8H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate?
1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate has a molecular weight of 302.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate is sourced from PubChem (CID 101356968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).