5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate

C14H28O3Si — CID 154349930

IUPAC5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH](CC)COCC
InChIInChI=1S/C14H28O3Si/c1-5-16-12-18(6-2)11-9-7-8-10-17-14(15)13(3)4/h18H,3,5-12H2,1-2,4H3
InChIKeyWLEIIHVCUBBREK-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds11

About 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate

5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate (PubChem CID 154349930) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate
PubChem CID154349930
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH](CC)COCC
InChIInChI=1S/C14H28O3Si/c1-5-16-12-18(6-2)11-9-7-8-10-17-14(15)13(3)4/h18H,3,5-12H2,1-2,4H3
InChIKeyWLEIIHVCUBBREK-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate
CID 154238941
3-[ethyl(methoxymethyl)silyl]propyl 2-methylprop-2-enoate
CID 154350163
5-[ethoxymethyl(ethyl)silyl]pentyl prop-2-enoate
CID 154350386
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate (CID 154349930) is 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC[SiH](CC)COCC.
What is the InChIKey of 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate?
The InChIKey is WLEIIHVCUBBREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-16-12-18(6-2)11-9-7-8-10-17-14(15)13(3)4/h18H,3,5-12H2,1-2,4H3.
What are the key properties of 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate?
5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 154349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).