1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate

C18H24O6 — CID 20550277

IUPAC1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCC.C=CC(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C11H12O3.C7H12O3/c1-3-11(12)14-9(2)13-10-7-5-4-6-8-10;1-4-7(8)10-6(3)9-5-2/h3-9H,1H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyBOMCXVGXFCBVSG-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.24
Rot. Bonds8

About 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate

1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate (PubChem CID 20550277) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate.

Molecular Properties

Compound Name1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
PubChem CID20550277
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCC.C=CC(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C11H12O3.C7H12O3/c1-3-11(12)14-9(2)13-10-7-5-4-6-8-10;1-4-7(8)10-6(3)9-5-2/h3-9H,1H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyBOMCXVGXFCBVSG-UHFFFAOYSA-N
XLogP3.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.24
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'}

Analyze 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate
CID 139774262
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
ethyl 1-phenoxyethyl carbonate
CID 173360681
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
1-phenoxyethyl 3-(1-ethoxyethoxy)-2-methylidenebutaneperoxoate
CID 134561988
1-phenylethyl prop-2-enoate
CID 175321764

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate?
The IUPAC name of 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate (CID 20550277) is 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate.
What is the SMILES notation for 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate?
The canonical SMILES for 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate is C=CC(=O)OC(C)OCC.C=CC(=O)OC(C)Oc1ccccc1.
What is the InChIKey of 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate?
The InChIKey is BOMCXVGXFCBVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C7H12O3/c1-3-11(12)14-9(2)13-10-7-5-4-6-8-10;1-4-7(8)10-6(3)9-5-2/h3-9H,1H2,2H3;4,6H,1,5H2,2-3H3.
What are the key properties of 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate?
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate has a molecular weight of 336.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate is sourced from PubChem (CID 20550277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).