2-methylsilylethenyl butanoate

C7H14O2Si — CID 154509237

IUPAC2-methylsilylethenyl butanoate
SMILESCCCC(=O)OC=C[SiH2]C
InChIInChI=1S/C7H14O2Si/c1-3-4-7(8)9-5-6-10-2/h5-6H,3-4,10H2,1-2H3
InChIKeyQIBSXOKCNCIENN-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.02
Rot. Bonds4

About 2-methylsilylethenyl butanoate

2-methylsilylethenyl butanoate (PubChem CID 154509237) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methylsilylethenyl butanoate.

Molecular Properties

Compound Name2-methylsilylethenyl butanoate
PubChem CID154509237
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-methylsilylethenyl butanoate
SMILESCCCC(=O)OC=C[SiH2]C
InChIInChI=1S/C7H14O2Si/c1-3-4-7(8)9-5-6-10-2/h5-6H,3-4,10H2,1-2H3
InChIKeyQIBSXOKCNCIENN-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

hexa-1,3-dienyl butanoate
CID 140756299
prop-1-enyl dodecanoate
CID 87388098
[(E)-prop-1-enyl] dodecanoate
CID 140543660
ethanol;ethenyl butanoate
CID 87410894
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
octadec-1-enyl tetradecanoate
CID 71417711
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
docos-1-enyl tetradecanoate
CID 141143815
undec-1-enyl pentanoate
CID 150139235
ethenyl butanoate;prop-2-enal
CID 174800304
dipotassium;bis(octadec-1-enyl) butanedioate;hydride
CID 174812028
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582

Frequently Asked Questions

What is the IUPAC name of 2-methylsilylethenyl butanoate?
The IUPAC name of 2-methylsilylethenyl butanoate (CID 154509237) is 2-methylsilylethenyl butanoate.
What is the SMILES notation for 2-methylsilylethenyl butanoate?
The canonical SMILES for 2-methylsilylethenyl butanoate is CCCC(=O)OC=C[SiH2]C.
What is the InChIKey of 2-methylsilylethenyl butanoate?
The InChIKey is QIBSXOKCNCIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-3-4-7(8)9-5-6-10-2/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-methylsilylethenyl butanoate?
2-methylsilylethenyl butanoate has a molecular weight of 158.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsilylethenyl butanoate is sourced from PubChem (CID 154509237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).