3-[butoxy(dimethyl)silyl]propyl prop-2-enoate

C12H24O3Si — CID 142550479

IUPAC3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)OCCCC
InChIInChI=1S/C12H24O3Si/c1-5-7-10-15-16(3,4)11-8-9-14-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyURNSFQFUFXHHQN-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds9

About 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate

3-[butoxy(dimethyl)silyl]propyl prop-2-enoate (PubChem CID 142550479) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
PubChem CID142550479
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)OCCCC
InChIInChI=1S/C12H24O3Si/c1-5-7-10-15-16(3,4)11-8-9-14-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyURNSFQFUFXHHQN-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
CID 151526512
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butan-2-one;butyl prop-2-enoate
CID 88737685
2-[dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
CID 20631232

Frequently Asked Questions

What is the IUPAC name of 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate (CID 142550479) is 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(C)OCCCC.
What is the InChIKey of 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate?
The InChIKey is URNSFQFUFXHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-7-10-15-16(3,4)11-8-9-14-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3.
What are the key properties of 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate?
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butoxy(dimethyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 142550479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).