[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate

C15H28O5Si — CID 101209447

IUPAC[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate
SMILESCO[Si](/C=C/COC(=O)CCC1CCCCC1)(OC)OC
InChIInChI=1S/C15H28O5Si/c1-17-21(18-2,19-3)13-7-12-20-15(16)11-10-14-8-5-4-6-9-14/h7,13-14H,4-6,8-12H2,1-3H3/b13-7+
InChIKeyVZUTYRUJGYBFDW-NTUHNPAUSA-N
MW316.47 g/mol
LogP2.86
Rot. Bonds9

About [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate

[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate (PubChem CID 101209447) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate
PubChem CID101209447
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate
SMILESCO[Si](/C=C/COC(=O)CCC1CCCCC1)(OC)OC
InChIInChI=1S/C15H28O5Si/c1-17-21(18-2,19-3)13-7-12-20-15(16)11-10-14-8-5-4-6-9-14/h7,13-14H,4-6,8-12H2,1-3H3/b13-7+
InChIKeyVZUTYRUJGYBFDW-NTUHNPAUSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
propyl 3-cyclopentylpropanoate
CID 43389546
acetyl 3-cyclohexylpropanoate
CID 175292524
2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate
CID 174974194
2-(1-methoxyethoxy)ethyl 3-cyclopentylpropanoate
CID 20729083
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
2-cyclopentylethyl butanoate
CID 142409115
1-cyclohexyl-5-methylhex-4-en-3-one
CID 115780649
prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
CID 54057799
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
cyclopentyl 3-cyclopentylpropanoate
CID 534685
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321

Frequently Asked Questions

What is the IUPAC name of [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate?
The IUPAC name of [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate (CID 101209447) is [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate?
The canonical SMILES for [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate is CO[Si](/C=C/COC(=O)CCC1CCCCC1)(OC)OC.
What is the InChIKey of [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate?
The InChIKey is VZUTYRUJGYBFDW-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-17-21(18-2,19-3)13-7-12-20-15(16)11-10-14-8-5-4-6-9-14/h7,13-14H,4-6,8-12H2,1-3H3/b13-7+.
What are the key properties of [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate?
[(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate has a molecular weight of 316.47 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-trimethoxysilylprop-2-enyl] 3-cyclohexylpropanoate is sourced from PubChem (CID 101209447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).