3-[dibutoxy(phenyl)silyl]propyl but-2-enoate

C21H34O4Si — CID 67842940

IUPAC3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1
InChIInChI=1S/C21H34O4Si/c1-4-7-17-24-26(25-18-8-5-2,20-14-10-9-11-15-20)19-12-16-23-21(22)13-6-3/h6,9-11,13-15H,4-5,7-8,12,16-19H2,1-3H3
InChIKeyMVCBPQOXZLGQLP-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.48
Rot. Bonds14

About 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate

3-[dibutoxy(phenyl)silyl]propyl but-2-enoate (PubChem CID 67842940) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
PubChem CID67842940
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1
InChIInChI=1S/C21H34O4Si/c1-4-7-17-24-26(25-18-8-5-2,20-14-10-9-11-15-20)19-12-16-23-21(22)13-6-3/h6,9-11,13-15H,4-5,7-8,12,16-19H2,1-3H3
InChIKeyMVCBPQOXZLGQLP-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[methyl(diphenyl)silyl]propyl but-2-enoate
CID 69118200
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
dodecyl (E)-but-2-enoate
CID 5462914
3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
dibutyl but-2-enedioate;styrene
CID 70528436
butyl (2Z,4E)-hexa-2,4-dienoate
CID 92529716
2-phenylethyl (E)-but-2-enoate
CID 5354304
3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335
2-(4-but-2-enoyloxybutoxycarbonyl)benzoic acid
CID 159131778

Frequently Asked Questions

What is the IUPAC name of 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate?
The IUPAC name of 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate (CID 67842940) is 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate?
The canonical SMILES for 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1.
What is the InChIKey of 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate?
The InChIKey is MVCBPQOXZLGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-4-7-17-24-26(25-18-8-5-2,20-14-10-9-11-15-20)19-12-16-23-21(22)13-6-3/h6,9-11,13-15H,4-5,7-8,12,16-19H2,1-3H3.
What are the key properties of 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate?
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate has a molecular weight of 378.59 g/mol, XLogP of 4.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutoxy(phenyl)silyl]propyl but-2-enoate is sourced from PubChem (CID 67842940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).