3-trimethoxysilylpropyl but-2-enoate

C10H20O5Si — CID 54181231

IUPAC3-trimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3
InChIKeyPBYDIWCXDGMNRO-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.37
Rot. Bonds8

About 3-trimethoxysilylpropyl but-2-enoate

3-trimethoxysilylpropyl but-2-enoate (PubChem CID 54181231) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl but-2-enoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl but-2-enoate
PubChem CID54181231
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-trimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3
InChIKeyPBYDIWCXDGMNRO-UHFFFAOYSA-N
XLogP1.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.37
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

Dipropyl maleate
CID 5271567
Acryloxypropyltrimethoxysilane
CID 151204
2-Butenedioic acid (2E)-, 1,4-dipropyl ester
CID 5271568
(3-Acryloxypropyl)methyldimethoxysilane
CID 2756289
2-Butenedioic acid (2Z)-, butyl 2-propenyl ester
CID 111988
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
3-(Triethoxysilyl)propyl prop-2-enoate
CID 11119352
Bis(3-(trimethoxysilyl)propyl) maleate
CID 6436333
Bis(3-(trimethoxysilyl)propyl) fumarate
CID 6436929
3-(Methoxydimethylsilyl)propyl Acrylate
CID 9813088
(3-Acryloxypropyl)tris(trimethylsiloxy)-silane
CID 9822746

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl but-2-enoate?
The IUPAC name of 3-trimethoxysilylpropyl but-2-enoate (CID 54181231) is 3-trimethoxysilylpropyl but-2-enoate.
What is the SMILES notation for 3-trimethoxysilylpropyl but-2-enoate?
The canonical SMILES for 3-trimethoxysilylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl but-2-enoate?
The InChIKey is PBYDIWCXDGMNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 3-trimethoxysilylpropyl but-2-enoate?
3-trimethoxysilylpropyl but-2-enoate has a molecular weight of 248.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl but-2-enoate is sourced from PubChem (CID 54181231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).