3-[dibutoxy(methyl)silyl]propyl prop-2-enoate

C15H30O4Si — CID 21432061

IUPAC3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C15H30O4Si/c1-5-8-12-18-20(4,19-13-9-6-2)14-10-11-17-15(16)7-3/h7H,3,5-6,8-14H2,1-2,4H3
InChIKeyNQXLZDZOOIINDQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.81
Rot. Bonds13

About 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate

3-[dibutoxy(methyl)silyl]propyl prop-2-enoate (PubChem CID 21432061) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
PubChem CID21432061
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C15H30O4Si/c1-5-8-12-18-20(4,19-13-9-6-2)14-10-11-17-15(16)7-3/h7H,3,5-6,8-14H2,1-2,4H3
InChIKeyNQXLZDZOOIINDQ-UHFFFAOYSA-N
XLogP3.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.81
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-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
CID 88604956
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
CID 151526512
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845

Frequently Asked Questions

What is the IUPAC name of 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate (CID 21432061) is 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(OCCCC)OCCCC.
What is the InChIKey of 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate?
The InChIKey is NQXLZDZOOIINDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-5-8-12-18-20(4,19-13-9-6-2)14-10-11-17-15(16)7-3/h7H,3,5-6,8-14H2,1-2,4H3.
What are the key properties of 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate?
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate has a molecular weight of 302.49 g/mol, XLogP of 3.81, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutoxy(methyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 21432061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).