1-dimethoxysilylpropan-2-yl prop-2-enoate

C8H16O4Si — CID 152752874

IUPAC1-dimethoxysilylpropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C[SiH](OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-8(9)12-7(2)6-13(10-3)11-4/h5,7,13H,1,6H2,2-4H3
InChIKeyMQWVMVYNUFREKQ-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.62
Rot. Bonds6

About 1-dimethoxysilylpropan-2-yl prop-2-enoate

1-dimethoxysilylpropan-2-yl prop-2-enoate (PubChem CID 152752874) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-dimethoxysilylpropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-dimethoxysilylpropan-2-yl prop-2-enoate
PubChem CID152752874
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name1-dimethoxysilylpropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C[SiH](OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-8(9)12-7(2)6-13(10-3)11-4/h5,7,13H,1,6H2,2-4H3
InChIKeyMQWVMVYNUFREKQ-UHFFFAOYSA-N
XLogP0.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
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

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
1-dimethoxysilylundecan-2-yl prop-2-enoate
CID 174052556
4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
CID 151879841
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate
CID 175454152
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
4-prop-2-enoyloxypentanoic acid
CID 87568780
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxysilylpropan-2-yl prop-2-enoate?
The IUPAC name of 1-dimethoxysilylpropan-2-yl prop-2-enoate (CID 152752874) is 1-dimethoxysilylpropan-2-yl prop-2-enoate.
What is the SMILES notation for 1-dimethoxysilylpropan-2-yl prop-2-enoate?
The canonical SMILES for 1-dimethoxysilylpropan-2-yl prop-2-enoate is C=CC(=O)OC(C)C[SiH](OC)OC.
What is the InChIKey of 1-dimethoxysilylpropan-2-yl prop-2-enoate?
The InChIKey is MQWVMVYNUFREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-5-8(9)12-7(2)6-13(10-3)11-4/h5,7,13H,1,6H2,2-4H3.
What are the key properties of 1-dimethoxysilylpropan-2-yl prop-2-enoate?
1-dimethoxysilylpropan-2-yl prop-2-enoate has a molecular weight of 204.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxysilylpropan-2-yl prop-2-enoate is sourced from PubChem (CID 152752874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).