[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate

C16H22O4Si — CID 151965327

IUPAC[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)[Si](CC)(CC)Oc1ccccc1
InChIInChI=1S/C16H22O4Si/c1-4-15(17)19-13-12-16(18)21(5-2,6-3)20-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyTZNNIXZQMQBIFP-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.28
Rot. Bonds9

About [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate

[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate (PubChem CID 151965327) has the molecular formula C16H22O4Si and a molecular weight of 306.43 g/mol. Its IUPAC name is [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate
PubChem CID151965327
Molecular FormulaC16H22O4Si
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Name[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)[Si](CC)(CC)Oc1ccccc1
InChIInChI=1S/C16H22O4Si/c1-4-15(17)19-13-12-16(18)21(5-2,6-3)20-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyTZNNIXZQMQBIFP-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.28
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

[(Z)-3-phenylhex-3-enyl] prop-2-enoate
CID 142724131
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;1,2-xylene
CID 70409011
(1-ethoxy-3-phenoxypropan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159802316
2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
CID 69414913
styrene;tridecyl prop-2-enoate
CID 70120047
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[diphenyl(2-prop-2-enoyloxyethyl)silyl]ethyl prop-2-enoate
CID 155652880
[(Z)-3-chloro-4-phenylbut-3-enyl] prop-2-enoate
CID 141217018

Frequently Asked Questions

What is the IUPAC name of [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate (CID 151965327) is [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)[Si](CC)(CC)Oc1ccccc1.
What is the InChIKey of [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate?
The InChIKey is TZNNIXZQMQBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4Si/c1-4-15(17)19-13-12-16(18)21(5-2,6-3)20-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3.
What are the key properties of [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate?
[3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate has a molecular weight of 306.43 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diethyl(phenoxy)silyl]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 151965327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).