3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate

C12H24O4Si — CID 140990688

IUPAC3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OCC)OC(C)C
InChIInChI=1S/C12H24O4Si/c1-6-12(13)14-9-8-10-17(5,15-7-2)16-11(3)4/h6,11H,1,7-10H2,2-5H3
InChIKeySHGBVIWWFCMNAO-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds9

About 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate

3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate (PubChem CID 140990688) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
PubChem CID140990688
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OCC)OC(C)C
InChIInChI=1S/C12H24O4Si/c1-6-12(13)14-9-8-10-17(5,15-7-2)16-11(3)4/h6,11H,1,7-10H2,2-5H3
InChIKeySHGBVIWWFCMNAO-UHFFFAOYSA-N
XLogP2.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.64
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

11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
4-[ethoxy(dimethyl)silyl]pentyl prop-2-enoate
CID 141445425
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate?
The IUPAC name of 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate (CID 140990688) is 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate.
What is the SMILES notation for 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate?
The canonical SMILES for 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(OCC)OC(C)C.
What is the InChIKey of 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate?
The InChIKey is SHGBVIWWFCMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-12(13)14-9-8-10-17(5,15-7-2)16-11(3)4/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate?
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate has a molecular weight of 260.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate is sourced from PubChem (CID 140990688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).