1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate

C17H34O3Si — CID 175090681

IUPAC1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CC[Si](CC)(CC)OCCCC
InChIInChI=1S/C17H34O3Si/c1-7-11-13-19-21(9-3,10-4)14-12-16(8-2)20-17(18)15(5)6/h16H,5,7-14H2,1-4,6H3
InChIKeyLZUFGROIFSOQQK-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds12

About 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate

1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate (PubChem CID 175090681) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate
PubChem CID175090681
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CC[Si](CC)(CC)OCCCC
InChIInChI=1S/C17H34O3Si/c1-7-11-13-19-21(9-3,10-4)14-12-16(8-2)20-17(18)15(5)6/h16H,5,7-14H2,1-4,6H3
InChIKeyLZUFGROIFSOQQK-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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

1-(butyl-ethyl-pentoxysilyl)heptan-3-yl 2-methylprop-2-enoate
CID 175083840
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
[butoxy-bis(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 88695289
decan-4-yl 2-methylprop-2-enoate
CID 22149421
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
CID 21432018
1-acetyloxyoctan-4-yl 2-methylprop-2-enoate
CID 87065567
heptan-3-yl 2-methylidenebutanoate
CID 156770774

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate (CID 175090681) is 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)CC[Si](CC)(CC)OCCCC.
What is the InChIKey of 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate?
The InChIKey is LZUFGROIFSOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-11-13-19-21(9-3,10-4)14-12-16(8-2)20-17(18)15(5)6/h16H,5,7-14H2,1-4,6H3.
What are the key properties of 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate?
1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(diethyl)silyl]pentan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 175090681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).