[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate

C14H27ClO4Si — CID 154251448

IUPAC[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(CC)(CC)OCCO[SiH2]CCC
InChIInChI=1S/C14H27ClO4Si/c1-5-10-20-19-9-8-18-14(6-2,7-3)11-17-13(16)12(4)15/h4-11,20H2,1-3H3
InChIKeyIMNBCEJGDQZQFN-UHFFFAOYSA-N
MW322.91 g/mol
LogP2.79
Rot. Bonds12

About [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate

[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate (PubChem CID 154251448) has the molecular formula C14H27ClO4Si and a molecular weight of 322.91 g/mol. Its IUPAC name is [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate
PubChem CID154251448
Molecular FormulaC14H27ClO4Si
Molecular Weight322.91 g/mol
Exact Mass322.14
IUPAC Name[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(CC)(CC)OCCO[SiH2]CCC
InChIInChI=1S/C14H27ClO4Si/c1-5-10-20-19-9-8-18-14(6-2,7-3)11-17-13(16)12(4)15/h4-11,20H2,1-3H3
InChIKeyIMNBCEJGDQZQFN-UHFFFAOYSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate
CID 173460021
(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 154231806
tetradecyl 2-chloroprop-2-enoate
CID 54118378
butyl prop-2-enoate;ethyl 2-chloroprop-2-enoate;ethyl prop-2-enoate
CID 88829985
bromomethyl 2-chloroprop-2-enoate
CID 139854962
3-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228
2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154135001
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-chloroprop-2-enoate
CID 139939074
prop-1-en-2-yloxy(propyl)silane
CID 151988829
2-(2,2-dimethoxyethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154483341
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902
3-butoxy-3-ethylpentanamide
CID 146302491

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate?
The IUPAC name of [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate (CID 154251448) is [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate.
What is the SMILES notation for [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate?
The canonical SMILES for [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCC(CC)(CC)OCCO[SiH2]CCC.
What is the InChIKey of [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate?
The InChIKey is IMNBCEJGDQZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO4Si/c1-5-10-20-19-9-8-18-14(6-2,7-3)11-17-13(16)12(4)15/h4-11,20H2,1-3H3.
What are the key properties of [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate?
[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate has a molecular weight of 322.91 g/mol, XLogP of 2.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate is sourced from PubChem (CID 154251448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).