4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate

C16H32O5Si — CID 139977875

IUPAC4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](OCC)(OCC)OCCCC
InChIInChI=1S/C16H32O5Si/c1-6-9-13-21-22(19-7-2,20-8-3)14-11-10-12-18-16(17)15(4)5/h4,6-14H2,1-3,5H3
InChIKeyHLZBGYLZTMBSES-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds14

About 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate

4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate (PubChem CID 139977875) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
PubChem CID139977875
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](OCC)(OCC)OCCCC
InChIInChI=1S/C16H32O5Si/c1-6-9-13-21-22(19-7-2,20-8-3)14-11-10-12-18-16(17)15(4)5/h4,6-14H2,1-3,5H3
InChIKeyHLZBGYLZTMBSES-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
CID 140668073
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398

Frequently Asked Questions

What is the IUPAC name of 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate (CID 139977875) is 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[Si](OCC)(OCC)OCCCC.
What is the InChIKey of 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate?
The InChIKey is HLZBGYLZTMBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-6-9-13-21-22(19-7-2,20-8-3)14-11-10-12-18-16(17)15(4)5/h4,6-14H2,1-3,5H3.
What are the key properties of 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate?
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate has a molecular weight of 332.51 g/mol, XLogP of 3.71, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139977875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).