(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate

C17H24O6 — CID 139774262

IUPAC(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(Oc1ccccc1)C(OCC)(OCC)OCC
InChIInChI=1S/C17H24O6/c1-5-15(18)23-16(22-14-12-10-9-11-13-14)17(19-6-2,20-7-3)21-8-4/h5,9-13,16H,1,6-8H2,2-4H3
InChIKeyYGJZXJLSUBIQGU-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.88
Rot. Bonds11

About (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate

(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate (PubChem CID 139774262) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate
PubChem CID139774262
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(Oc1ccccc1)C(OCC)(OCC)OCC
InChIInChI=1S/C17H24O6/c1-5-15(18)23-16(22-14-12-10-9-11-13-14)17(19-6-2,20-7-3)21-8-4/h5,9-13,16H,1,6-8H2,2-4H3
InChIKeyYGJZXJLSUBIQGU-UHFFFAOYSA-N
XLogP2.88
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
1-phenylethyl prop-2-enoate
CID 175321764
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
CID 139674274
[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
CID 67527646
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720

Frequently Asked Questions

What is the IUPAC name of (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate?
The IUPAC name of (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate (CID 139774262) is (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate.
What is the SMILES notation for (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate?
The canonical SMILES for (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate is C=CC(=O)OC(Oc1ccccc1)C(OCC)(OCC)OCC.
What is the InChIKey of (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate?
The InChIKey is YGJZXJLSUBIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-5-15(18)23-16(22-14-12-10-9-11-13-14)17(19-6-2,20-7-3)21-8-4/h5,9-13,16H,1,6-8H2,2-4H3.
What are the key properties of (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate?
(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate has a molecular weight of 324.37 g/mol, XLogP of 2.88, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate is sourced from PubChem (CID 139774262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).