methyl 3-(trimethylsilylmethyl)but-3-enoate

C9H18O2Si — CID 11769254

IUPACmethyl 3-(trimethylsilylmethyl)but-3-enoate
SMILESC=C(CC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h1,6-7H2,2-5H3
InChIKeyDPBRXLFGMUIBMC-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.44
Rot. Bonds4

About methyl 3-(trimethylsilylmethyl)but-3-enoate

methyl 3-(trimethylsilylmethyl)but-3-enoate (PubChem CID 11769254) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is methyl 3-(trimethylsilylmethyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 3-(trimethylsilylmethyl)but-3-enoate
PubChem CID11769254
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Namemethyl 3-(trimethylsilylmethyl)but-3-enoate
SMILESC=C(CC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h1,6-7H2,2-5H3
InChIKeyDPBRXLFGMUIBMC-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(trimethylsilylmethyl)but-3-enoate?
The IUPAC name of methyl 3-(trimethylsilylmethyl)but-3-enoate (CID 11769254) is methyl 3-(trimethylsilylmethyl)but-3-enoate.
What is the SMILES notation for methyl 3-(trimethylsilylmethyl)but-3-enoate?
The canonical SMILES for methyl 3-(trimethylsilylmethyl)but-3-enoate is C=C(CC(=O)OC)C[Si](C)(C)C.
What is the InChIKey of methyl 3-(trimethylsilylmethyl)but-3-enoate?
The InChIKey is DPBRXLFGMUIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h1,6-7H2,2-5H3.
What are the key properties of methyl 3-(trimethylsilylmethyl)but-3-enoate?
methyl 3-(trimethylsilylmethyl)but-3-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(trimethylsilylmethyl)but-3-enoate is sourced from PubChem (CID 11769254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).