methyl 2-(2-methylpropylsilyloxy)but-2-enoate

C9H18O3Si — CID 173287198

IUPACmethyl 2-(2-methylpropylsilyloxy)but-2-enoate
SMILESCC=C(O[SiH2]CC(C)C)C(=O)OC
InChIInChI=1S/C9H18O3Si/c1-5-8(9(10)11-4)12-13-6-7(2)3/h5,7H,6,13H2,1-4H3
InChIKeyHSAOWQFRVVAOHE-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.24
Rot. Bonds5

About methyl 2-(2-methylpropylsilyloxy)but-2-enoate

methyl 2-(2-methylpropylsilyloxy)but-2-enoate (PubChem CID 173287198) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is methyl 2-(2-methylpropylsilyloxy)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylsilyloxy)but-2-enoate
PubChem CID173287198
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-(2-methylpropylsilyloxy)but-2-enoate
SMILESCC=C(O[SiH2]CC(C)C)C(=O)OC
InChIInChI=1S/C9H18O3Si/c1-5-8(9(10)11-4)12-13-6-7(2)3/h5,7H,6,13H2,1-4H3
InChIKeyHSAOWQFRVVAOHE-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 methyl 2-(2-methylpropylsilyloxy)but-2-enoate?
The IUPAC name of methyl 2-(2-methylpropylsilyloxy)but-2-enoate (CID 173287198) is methyl 2-(2-methylpropylsilyloxy)but-2-enoate.
What is the SMILES notation for methyl 2-(2-methylpropylsilyloxy)but-2-enoate?
The canonical SMILES for methyl 2-(2-methylpropylsilyloxy)but-2-enoate is CC=C(O[SiH2]CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methylpropylsilyloxy)but-2-enoate?
The InChIKey is HSAOWQFRVVAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-8(9(10)11-4)12-13-6-7(2)3/h5,7H,6,13H2,1-4H3.
What are the key properties of methyl 2-(2-methylpropylsilyloxy)but-2-enoate?
methyl 2-(2-methylpropylsilyloxy)but-2-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylsilyloxy)but-2-enoate is sourced from PubChem (CID 173287198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).