methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate

C14H22O8 — CID 20770137

IUPACmethyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate
SMILESC=COCOCCOC(=O)CCOCOCC(=C)C(=O)OC
InChIInChI=1S/C14H22O8/c1-4-18-10-20-7-8-22-13(15)5-6-19-11-21-9-12(2)14(16)17-3/h4H,1-2,5-11H2,3H3
InChIKeyRCFWLVANQCJDIY-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.77
Rot. Bonds14

About methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate

methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate (PubChem CID 20770137) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate
PubChem CID20770137
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Namemethyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate
SMILESC=COCOCCOC(=O)CCOCOCC(=C)C(=O)OC
InChIInChI=1S/C14H22O8/c1-4-18-10-20-7-8-22-13(15)5-6-19-11-21-9-12(2)14(16)17-3/h4H,1-2,5-11H2,3H3
InChIKeyRCFWLVANQCJDIY-UHFFFAOYSA-N
XLogP0.77
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]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

2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate
CID 20770081
methyl 5-ethenoxy-2-methylidenepentanoate
CID 23505086
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
CID 123402885
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
CID 156821481
2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
CID 58882686
[3-(ethenoxymethoxy)-2-[(3-methoxy-3-oxopropoxy)methoxy]propyl] 2,2-dimethylbutanoate
CID 20793495
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
2-ethenoxyethyl 3-oxobutanoate
CID 23370733
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate?
The IUPAC name of methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate (CID 20770137) is methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate is C=COCOCCOC(=O)CCOCOCC(=C)C(=O)OC.
What is the InChIKey of methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate?
The InChIKey is RCFWLVANQCJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O8/c1-4-18-10-20-7-8-22-13(15)5-6-19-11-21-9-12(2)14(16)17-3/h4H,1-2,5-11H2,3H3.
What are the key properties of methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate?
methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate has a molecular weight of 318.32 g/mol, XLogP of 0.77, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[2-(ethenoxymethoxy)ethoxy]-3-oxopropoxy]methoxymethyl]prop-2-enoate is sourced from PubChem (CID 20770137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).