(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate

C16H23FO3Si — CID 154365117

IUPAC(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCC(CC)(CC)O[SiH2]c1ccccc1
InChIInChI=1S/C16H23FO3Si/c1-4-16(5-2,11-12-19-15(18)13(3)17)20-21-14-9-7-6-8-10-14/h6-10H,3-5,11-12,21H2,1-2H3
InChIKeyGECSOXQNIYBNRW-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.39
Rot. Bonds9

About (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate

(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate (PubChem CID 154365117) has the molecular formula C16H23FO3Si and a molecular weight of 310.44 g/mol. Its IUPAC name is (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate
PubChem CID154365117
Molecular FormulaC16H23FO3Si
Molecular Weight310.44 g/mol
Exact Mass310.14
IUPAC Name(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCC(CC)(CC)O[SiH2]c1ccccc1
InChIInChI=1S/C16H23FO3Si/c1-4-16(5-2,11-12-19-15(18)13(3)17)20-21-14-9-7-6-8-10-14/h6-10H,3-5,11-12,21H2,1-2H3
InChIKeyGECSOXQNIYBNRW-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
CID 175995571
CID 175995571
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;prop-1-en-2-ylbenzene
CID 67914765
diethyl 2-azido-2-phenylpropanedioate
CID 14066098
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
butyl 2-phenoxyprop-2-enoate
CID 134306076
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
octyl 2-(benzenesulfonyl)prop-2-enoate
CID 89351814

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?
The IUPAC name of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate (CID 154365117) is (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate.
What is the SMILES notation for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?
The canonical SMILES for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCC(CC)(CC)O[SiH2]c1ccccc1.
What is the InChIKey of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?
The InChIKey is GECSOXQNIYBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3Si/c1-4-16(5-2,11-12-19-15(18)13(3)17)20-21-14-9-7-6-8-10-14/h6-10H,3-5,11-12,21H2,1-2H3.
What are the key properties of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?
(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate has a molecular weight of 310.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate is sourced from PubChem (CID 154365117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).