5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate

C14H28O3Si — CID 154294762

IUPAC5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[SiH](CCC)COCC
InChIInChI=1S/C14H28O3Si/c1-4-11-18(13-16-6-3)12-9-7-8-10-17-14(15)5-2/h5,18H,2,4,6-13H2,1,3H3
InChIKeyNXIYRQCDBOOOIA-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds12

About 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate

5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate (PubChem CID 154294762) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate
PubChem CID154294762
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[SiH](CCC)COCC
InChIInChI=1S/C14H28O3Si/c1-4-11-18(13-16-6-3)12-9-7-8-10-17-14(15)5-2/h5,18H,2,4,6-13H2,1,3H3
InChIKeyNXIYRQCDBOOOIA-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.10
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

5-[ethoxymethyl(ethyl)silyl]pentyl prop-2-enoate
CID 154350386
6-ethoxyhexyl prop-2-enoate
CID 88877184
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
decan-1-ol;decyl prop-2-enoate
CID 158001479
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate?
The IUPAC name of 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate (CID 154294762) is 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate.
What is the SMILES notation for 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate?
The canonical SMILES for 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate is C=CC(=O)OCCCCC[SiH](CCC)COCC.
What is the InChIKey of 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate?
The InChIKey is NXIYRQCDBOOOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-4-11-18(13-16-6-3)12-9-7-8-10-17-14(15)5-2/h5,18H,2,4,6-13H2,1,3H3.
What are the key properties of 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate?
5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate is sourced from PubChem (CID 154294762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).