ethyl 3-methyl-2-trimethylsilylbut-3-enoate

C10H20O2Si — CID 12869999

IUPACethyl 3-methyl-2-trimethylsilylbut-3-enoate
SMILESC=C(C)C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-12-10(11)9(8(2)3)13(4,5)6/h9H,2,7H2,1,3-6H3
InChIKeyVVXDICWALXAAKG-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds4

About ethyl 3-methyl-2-trimethylsilylbut-3-enoate

ethyl 3-methyl-2-trimethylsilylbut-3-enoate (PubChem CID 12869999) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl 3-methyl-2-trimethylsilylbut-3-enoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-trimethylsilylbut-3-enoate
PubChem CID12869999
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl 3-methyl-2-trimethylsilylbut-3-enoate
SMILESC=C(C)C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-12-10(11)9(8(2)3)13(4,5)6/h9H,2,7H2,1,3-6H3
InChIKeyVVXDICWALXAAKG-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
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 ethyl 3-methyl-2-trimethylsilylbut-3-enoate?
The IUPAC name of ethyl 3-methyl-2-trimethylsilylbut-3-enoate (CID 12869999) is ethyl 3-methyl-2-trimethylsilylbut-3-enoate.
What is the SMILES notation for ethyl 3-methyl-2-trimethylsilylbut-3-enoate?
The canonical SMILES for ethyl 3-methyl-2-trimethylsilylbut-3-enoate is C=C(C)C(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 3-methyl-2-trimethylsilylbut-3-enoate?
The InChIKey is VVXDICWALXAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-12-10(11)9(8(2)3)13(4,5)6/h9H,2,7H2,1,3-6H3.
What are the key properties of ethyl 3-methyl-2-trimethylsilylbut-3-enoate?
ethyl 3-methyl-2-trimethylsilylbut-3-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-trimethylsilylbut-3-enoate is sourced from PubChem (CID 12869999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).