4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate

C14H28O4Si — CID 174739183

IUPAC4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](C)(OCCC)OCCC
InChIInChI=1S/C14H28O4Si/c1-6-10-16-19(5,17-11-7-2)12-9-13(4)18-14(15)8-3/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyGFWMMZZKKFLOMB-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.42
Rot. Bonds11

About 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate

4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate (PubChem CID 174739183) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
PubChem CID174739183
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](C)(OCCC)OCCC
InChIInChI=1S/C14H28O4Si/c1-6-10-16-19(5,17-11-7-2)12-9-13(4)18-14(15)8-3/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyGFWMMZZKKFLOMB-UHFFFAOYSA-N
XLogP3.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.42
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

5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
5-methylhexan-2-yl prop-2-enoate
CID 151222941
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate
CID 174865681

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate?
The IUPAC name of 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate (CID 174739183) is 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate.
What is the SMILES notation for 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate?
The canonical SMILES for 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC[Si](C)(OCCC)OCCC.
What is the InChIKey of 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate?
The InChIKey is GFWMMZZKKFLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-6-10-16-19(5,17-11-7-2)12-9-13(4)18-14(15)8-3/h8,13H,3,6-7,9-12H2,1-2,4-5H3.
What are the key properties of 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate?
4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate has a molecular weight of 288.46 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate is sourced from PubChem (CID 174739183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).