[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate

C14H22O4Si — CID 10684325

IUPAC[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate
SMILESC=C/C=C/[Si](C)(COC(=O)C=C)COC(=O)C(C)C
InChIInChI=1S/C14H22O4Si/c1-6-8-9-19(5,10-17-13(15)7-2)11-18-14(16)12(3)4/h6-9,12H,1-2,10-11H2,3-5H3/b9-8+
InChIKeyKDVPWCZXLAUYOS-CMDGGOBGSA-N
MW282.41 g/mol
LogP2.35
Rot. Bonds8

About [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate

[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate (PubChem CID 10684325) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate
PubChem CID10684325
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate
SMILESC=C/C=C/[Si](C)(COC(=O)C=C)COC(=O)C(C)C
InChIInChI=1S/C14H22O4Si/c1-6-8-9-19(5,10-17-13(15)7-2)11-18-14(16)12(3)4/h6-9,12H,1-2,10-11H2,3-5H3/b9-8+
InChIKeyKDVPWCZXLAUYOS-CMDGGOBGSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[[(1E)-buta-1,3-dienyl]-methyl-[(2-phenylacetyl)oxymethyl]silyl]methyl prop-2-enoate
CID 10496672
tri(butan-2-yl)silylmethyl prop-2-enoate
CID 141363387
[dichloro(ethyl)silyl]methyl prop-2-enoate
CID 140514635
[diethylamino(dimethyl)silyl]methyl prop-2-enoate
CID 18954911
[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]methyl prop-2-enoate
CID 141035069
[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
CID 167321925
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719

Frequently Asked Questions

What is the IUPAC name of [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate?
The IUPAC name of [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate (CID 10684325) is [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate.
What is the SMILES notation for [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate?
The canonical SMILES for [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate is C=C/C=C/[Si](C)(COC(=O)C=C)COC(=O)C(C)C.
What is the InChIKey of [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate?
The InChIKey is KDVPWCZXLAUYOS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-6-8-9-19(5,10-17-13(15)7-2)11-18-14(16)12(3)4/h6-9,12H,1-2,10-11H2,3-5H3/b9-8+.
What are the key properties of [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate?
[[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate has a molecular weight of 282.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E)-buta-1,3-dienyl]-methyl-(prop-2-enoyloxymethyl)silyl]methyl 2-methylpropanoate is sourced from PubChem (CID 10684325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).