(6-phenyl-5-silyloxyhexyl) but-2-enoate

C16H24O3Si — CID 173095834

IUPAC(6-phenyl-5-silyloxyhexyl) but-2-enoate
SMILESCC=CC(=O)OCCCCC(Cc1ccccc1)O[SiH3]
InChIInChI=1S/C16H24O3Si/c1-2-8-16(17)18-12-7-6-11-15(19-20)13-14-9-4-3-5-10-14/h2-5,8-10,15H,6-7,11-13H2,1,20H3
InChIKeyZAHKTKOXTVUXNK-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.18
Rot. Bonds9

About (6-phenyl-5-silyloxyhexyl) but-2-enoate

(6-phenyl-5-silyloxyhexyl) but-2-enoate (PubChem CID 173095834) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (6-phenyl-5-silyloxyhexyl) but-2-enoate.

Molecular Properties

Compound Name(6-phenyl-5-silyloxyhexyl) but-2-enoate
PubChem CID173095834
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name(6-phenyl-5-silyloxyhexyl) but-2-enoate
SMILESCC=CC(=O)OCCCCC(Cc1ccccc1)O[SiH3]
InChIInChI=1S/C16H24O3Si/c1-2-8-16(17)18-12-7-6-11-15(19-20)13-14-9-4-3-5-10-14/h2-5,8-10,15H,6-7,11-13H2,1,20H3
InChIKeyZAHKTKOXTVUXNK-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl (E)-but-2-enoate
CID 5354304
benzyl (E)-but-2-enoate
CID 5356259
2-(4-but-2-enoyloxybutoxycarbonyl)benzoic acid
CID 159131778
3-[methyl(diphenyl)silyl]propyl but-2-enoate
CID 69118200
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504
4-O-benzyl 1-O-decyl (Z)-but-2-enedioate
CID 5369272
1-O-octyl 4-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710158
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (E)-but-2-enoate
CID 7981212
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
(E)-4-oxo-4-(3-phenylpropoxy)but-2-enoic acid
CID 54583605
[(5S)-5,6-dinitrooxyhexyl] 2-amino-3-phenylpropanoate
CID 87508510
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-5-silyloxyhexyl) but-2-enoate?
The IUPAC name of (6-phenyl-5-silyloxyhexyl) but-2-enoate (CID 173095834) is (6-phenyl-5-silyloxyhexyl) but-2-enoate.
What is the SMILES notation for (6-phenyl-5-silyloxyhexyl) but-2-enoate?
The canonical SMILES for (6-phenyl-5-silyloxyhexyl) but-2-enoate is CC=CC(=O)OCCCCC(Cc1ccccc1)O[SiH3].
What is the InChIKey of (6-phenyl-5-silyloxyhexyl) but-2-enoate?
The InChIKey is ZAHKTKOXTVUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-2-8-16(17)18-12-7-6-11-15(19-20)13-14-9-4-3-5-10-14/h2-5,8-10,15H,6-7,11-13H2,1,20H3.
What are the key properties of (6-phenyl-5-silyloxyhexyl) but-2-enoate?
(6-phenyl-5-silyloxyhexyl) but-2-enoate has a molecular weight of 292.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-5-silyloxyhexyl) but-2-enoate is sourced from PubChem (CID 173095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).