(methoxy-methyl-propylsilyl)methyl but-2-enoate

C10H20O3Si — CID 140987503

IUPAC(methoxy-methyl-propylsilyl)methyl but-2-enoate
SMILESCC=CC(=O)OC[Si](C)(CCC)OC
InChIInChI=1S/C10H20O3Si/c1-5-7-10(11)13-9-14(4,12-3)8-6-2/h5,7H,6,8-9H2,1-4H3
InChIKeyRNBVKAWZDAVKTQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.28
Rot. Bonds6

About (methoxy-methyl-propylsilyl)methyl but-2-enoate

(methoxy-methyl-propylsilyl)methyl but-2-enoate (PubChem CID 140987503) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (methoxy-methyl-propylsilyl)methyl but-2-enoate.

Molecular Properties

Compound Name(methoxy-methyl-propylsilyl)methyl but-2-enoate
PubChem CID140987503
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(methoxy-methyl-propylsilyl)methyl but-2-enoate
SMILESCC=CC(=O)OC[Si](C)(CCC)OC
InChIInChI=1S/C10H20O3Si/c1-5-7-10(11)13-9-14(4,12-3)8-6-2/h5,7H,6,8-9H2,1-4H3
InChIKeyRNBVKAWZDAVKTQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
CID 141215928
dodecyl (E)-but-2-enoate
CID 5462914
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
ethyl (E)-but-2-enoate;methanamine
CID 88817268
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
1-O-methyl 4-O-(trimethylsilylmethyl) (E)-but-2-enedioate
CID 139675883

Frequently Asked Questions

What is the IUPAC name of (methoxy-methyl-propylsilyl)methyl but-2-enoate?
The IUPAC name of (methoxy-methyl-propylsilyl)methyl but-2-enoate (CID 140987503) is (methoxy-methyl-propylsilyl)methyl but-2-enoate.
What is the SMILES notation for (methoxy-methyl-propylsilyl)methyl but-2-enoate?
The canonical SMILES for (methoxy-methyl-propylsilyl)methyl but-2-enoate is CC=CC(=O)OC[Si](C)(CCC)OC.
What is the InChIKey of (methoxy-methyl-propylsilyl)methyl but-2-enoate?
The InChIKey is RNBVKAWZDAVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-5-7-10(11)13-9-14(4,12-3)8-6-2/h5,7H,6,8-9H2,1-4H3.
What are the key properties of (methoxy-methyl-propylsilyl)methyl but-2-enoate?
(methoxy-methyl-propylsilyl)methyl but-2-enoate has a molecular weight of 216.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxy-methyl-propylsilyl)methyl but-2-enoate is sourced from PubChem (CID 140987503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).