1-tripropoxysilylbutyl 2-methylprop-2-enoate

C17H34O5Si — CID 21430825

IUPAC1-tripropoxysilylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C17H34O5Si/c1-7-11-16(22-17(18)15(5)6)23(19-12-8-2,20-13-9-3)21-14-10-4/h16H,5,7-14H2,1-4,6H3
InChIKeyYEAUASQONGQTCT-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.03
Rot. Bonds14

About 1-tripropoxysilylbutyl 2-methylprop-2-enoate

1-tripropoxysilylbutyl 2-methylprop-2-enoate (PubChem CID 21430825) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 1-tripropoxysilylbutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-tripropoxysilylbutyl 2-methylprop-2-enoate
PubChem CID21430825
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name1-tripropoxysilylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C17H34O5Si/c1-7-11-16(22-17(18)15(5)6)23(19-12-8-2,20-13-9-3)21-14-10-4/h16H,5,7-14H2,1-4,6H3
InChIKeyYEAUASQONGQTCT-UHFFFAOYSA-N
XLogP4.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromobutyl 2-methylprop-2-enoate
CID 87523903
[methyl(dipropoxy)silyl] 2-methylprop-2-enoate
CID 151665203
1-(diethylamino)butyl 2-methylprop-2-enoate
CID 87217870
1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
CID 162767548
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
CID 154099219
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-methylprop-2-enoyl 2-hydroxypentanoate
CID 175550254
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
1-thiocyanatobutyl 2-methylprop-2-enoate
CID 143220371
decan-4-yl 2-methylprop-2-enoate
CID 22149421

Frequently Asked Questions

What is the IUPAC name of 1-tripropoxysilylbutyl 2-methylprop-2-enoate?
The IUPAC name of 1-tripropoxysilylbutyl 2-methylprop-2-enoate (CID 21430825) is 1-tripropoxysilylbutyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-tripropoxysilylbutyl 2-methylprop-2-enoate?
The canonical SMILES for 1-tripropoxysilylbutyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC)[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of 1-tripropoxysilylbutyl 2-methylprop-2-enoate?
The InChIKey is YEAUASQONGQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-7-11-16(22-17(18)15(5)6)23(19-12-8-2,20-13-9-3)21-14-10-4/h16H,5,7-14H2,1-4,6H3.
What are the key properties of 1-tripropoxysilylbutyl 2-methylprop-2-enoate?
1-tripropoxysilylbutyl 2-methylprop-2-enoate has a molecular weight of 346.54 g/mol, XLogP of 4.03, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tripropoxysilylbutyl 2-methylprop-2-enoate is sourced from PubChem (CID 21430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).