ethyl 3-methyl-2-trimethylsilylpent-3-enoate

C11H22O2Si — CID 71412335

IUPACethyl 3-methyl-2-trimethylsilylpent-3-enoate
SMILESCC=C(C)C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-9(3)10(14(4,5)6)11(12)13-8-2/h7,10H,8H2,1-6H3
InChIKeyGMTUFFDZBVBVEC-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds4

About ethyl 3-methyl-2-trimethylsilylpent-3-enoate

ethyl 3-methyl-2-trimethylsilylpent-3-enoate (PubChem CID 71412335) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is ethyl 3-methyl-2-trimethylsilylpent-3-enoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-trimethylsilylpent-3-enoate
PubChem CID71412335
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nameethyl 3-methyl-2-trimethylsilylpent-3-enoate
SMILESCC=C(C)C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-9(3)10(14(4,5)6)11(12)13-8-2/h7,10H,8H2,1-6H3
InChIKeyGMTUFFDZBVBVEC-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
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-trimethylsilylpent-3-enoate?
The IUPAC name of ethyl 3-methyl-2-trimethylsilylpent-3-enoate (CID 71412335) is ethyl 3-methyl-2-trimethylsilylpent-3-enoate.
What is the SMILES notation for ethyl 3-methyl-2-trimethylsilylpent-3-enoate?
The canonical SMILES for ethyl 3-methyl-2-trimethylsilylpent-3-enoate is CC=C(C)C(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 3-methyl-2-trimethylsilylpent-3-enoate?
The InChIKey is GMTUFFDZBVBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-9(3)10(14(4,5)6)11(12)13-8-2/h7,10H,8H2,1-6H3.
What are the key properties of ethyl 3-methyl-2-trimethylsilylpent-3-enoate?
ethyl 3-methyl-2-trimethylsilylpent-3-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 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-trimethylsilylpent-3-enoate is sourced from PubChem (CID 71412335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).