ethyl 4-(trimethylsilylmethyl)pent-4-enoate

C11H22O2Si — CID 11020263

IUPACethyl 4-(trimethylsilylmethyl)pent-4-enoate
SMILESC=C(CCC(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-13-11(12)8-7-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyPTGWSNHJESOEBR-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds6

About ethyl 4-(trimethylsilylmethyl)pent-4-enoate

ethyl 4-(trimethylsilylmethyl)pent-4-enoate (PubChem CID 11020263) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is ethyl 4-(trimethylsilylmethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 4-(trimethylsilylmethyl)pent-4-enoate
PubChem CID11020263
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nameethyl 4-(trimethylsilylmethyl)pent-4-enoate
SMILESC=C(CCC(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-13-11(12)8-7-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyPTGWSNHJESOEBR-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 4-(trimethylsilylmethyl)pent-4-enoate?
The IUPAC name of ethyl 4-(trimethylsilylmethyl)pent-4-enoate (CID 11020263) is ethyl 4-(trimethylsilylmethyl)pent-4-enoate.
What is the SMILES notation for ethyl 4-(trimethylsilylmethyl)pent-4-enoate?
The canonical SMILES for ethyl 4-(trimethylsilylmethyl)pent-4-enoate is C=C(CCC(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl 4-(trimethylsilylmethyl)pent-4-enoate?
The InChIKey is PTGWSNHJESOEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-13-11(12)8-7-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3.
What are the key properties of ethyl 4-(trimethylsilylmethyl)pent-4-enoate?
ethyl 4-(trimethylsilylmethyl)pent-4-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trimethylsilylmethyl)pent-4-enoate is sourced from PubChem (CID 11020263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).