methyl 3-oxo-4-trimethylsilylpent-4-enoate

C9H16O3Si — CID 71714425

IUPACmethyl 3-oxo-4-trimethylsilylpent-4-enoate
SMILESC=C(C(=O)CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-7(13(3,4)5)8(10)6-9(11)12-2/h1,6H2,2-5H3
InChIKeyWIYFCWBCBFYBRB-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.55
Rot. Bonds4

About methyl 3-oxo-4-trimethylsilylpent-4-enoate

methyl 3-oxo-4-trimethylsilylpent-4-enoate (PubChem CID 71714425) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is methyl 3-oxo-4-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Namemethyl 3-oxo-4-trimethylsilylpent-4-enoate
PubChem CID71714425
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Namemethyl 3-oxo-4-trimethylsilylpent-4-enoate
SMILESC=C(C(=O)CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-7(13(3,4)5)8(10)6-9(11)12-2/h1,6H2,2-5H3
InChIKeyWIYFCWBCBFYBRB-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(bromomethyl)but-3-enoate
CID 46201260
CID 87726616
CID 87726616
methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578
4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
CID 20612433
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
CID 173454625
methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617
dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 2-[ethenyl(dimethyl)silyl]acetate
CID 139840129
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
dimethyl propanedioate;methanesulfonic acid
CID 172769091

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-4-trimethylsilylpent-4-enoate?
The IUPAC name of methyl 3-oxo-4-trimethylsilylpent-4-enoate (CID 71714425) is methyl 3-oxo-4-trimethylsilylpent-4-enoate.
What is the SMILES notation for methyl 3-oxo-4-trimethylsilylpent-4-enoate?
The canonical SMILES for methyl 3-oxo-4-trimethylsilylpent-4-enoate is C=C(C(=O)CC(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 3-oxo-4-trimethylsilylpent-4-enoate?
The InChIKey is WIYFCWBCBFYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-7(13(3,4)5)8(10)6-9(11)12-2/h1,6H2,2-5H3.
What are the key properties of methyl 3-oxo-4-trimethylsilylpent-4-enoate?
methyl 3-oxo-4-trimethylsilylpent-4-enoate has a molecular weight of 200.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-4-trimethylsilylpent-4-enoate is sourced from PubChem (CID 71714425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).