2-methylprop-2-enoic acid;triethoxy(propyl)silane

C13H28O5Si — CID 87573070

IUPAC2-methylprop-2-enoic acid;triethoxy(propyl)silane
SMILESC=C(C)C(=O)O.CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C9H22O3Si.C4H6O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3(2)4(5)6/h5-9H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyFZTUOBCLWBAQMC-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds9

About 2-methylprop-2-enoic acid;triethoxy(propyl)silane

2-methylprop-2-enoic acid;triethoxy(propyl)silane (PubChem CID 87573070) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;triethoxy(propyl)silane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;triethoxy(propyl)silane
PubChem CID87573070
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-methylprop-2-enoic acid;triethoxy(propyl)silane
SMILESC=C(C)C(=O)O.CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C9H22O3Si.C4H6O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3(2)4(5)6/h5-9H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyFZTUOBCLWBAQMC-UHFFFAOYSA-N
XLogP3.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
carbamic acid;triethoxy(propyl)silane
CID 175441799
N-methylmethanamine;triethoxy(propyl)silane
CID 22145973
CID 175896662
CID 175896662
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
CID 160747062
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
triethoxy(propyl)silane;trimethoxysilane
CID 159942236
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
CID 175369116
CID 175369116

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;triethoxy(propyl)silane?
The IUPAC name of 2-methylprop-2-enoic acid;triethoxy(propyl)silane (CID 87573070) is 2-methylprop-2-enoic acid;triethoxy(propyl)silane.
What is the SMILES notation for 2-methylprop-2-enoic acid;triethoxy(propyl)silane?
The canonical SMILES for 2-methylprop-2-enoic acid;triethoxy(propyl)silane is C=C(C)C(=O)O.CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-methylprop-2-enoic acid;triethoxy(propyl)silane?
The InChIKey is FZTUOBCLWBAQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.C4H6O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3(2)4(5)6/h5-9H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;triethoxy(propyl)silane?
2-methylprop-2-enoic acid;triethoxy(propyl)silane has a molecular weight of 292.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;triethoxy(propyl)silane is sourced from PubChem (CID 87573070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).