2-(trimethylsilylmethyl)prop-2-enyl butanoate

C11H22O2Si — CID 87825299

IUPAC2-(trimethylsilylmethyl)prop-2-enyl butanoate
SMILESC=C(COC(=O)CCC)C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-11(12)13-8-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyQWCYKDWRBCJASI-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds6

About 2-(trimethylsilylmethyl)prop-2-enyl butanoate

2-(trimethylsilylmethyl)prop-2-enyl butanoate (PubChem CID 87825299) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)prop-2-enyl butanoate.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)prop-2-enyl butanoate
PubChem CID87825299
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-(trimethylsilylmethyl)prop-2-enyl butanoate
SMILESC=C(COC(=O)CCC)C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-11(12)13-8-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyQWCYKDWRBCJASI-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 2-(trimethylsilylmethyl)prop-2-enyl butanoate?
The IUPAC name of 2-(trimethylsilylmethyl)prop-2-enyl butanoate (CID 87825299) is 2-(trimethylsilylmethyl)prop-2-enyl butanoate.
What is the SMILES notation for 2-(trimethylsilylmethyl)prop-2-enyl butanoate?
The canonical SMILES for 2-(trimethylsilylmethyl)prop-2-enyl butanoate is C=C(COC(=O)CCC)C[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilylmethyl)prop-2-enyl butanoate?
The InChIKey is QWCYKDWRBCJASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-11(12)13-8-10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3.
What are the key properties of 2-(trimethylsilylmethyl)prop-2-enyl butanoate?
2-(trimethylsilylmethyl)prop-2-enyl butanoate 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 2-(trimethylsilylmethyl)prop-2-enyl butanoate is sourced from PubChem (CID 87825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).