furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate

C20H22O6 — CID 67127109

IUPACfuran-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCc1ccco1.C=CC(=O)OCCOc1ccccc1
InChIInChI=1S/C11H12O3.C9H10O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-7(2)9(10)12-6-8-4-3-5-11-8/h2-7H,1,8-9H2;3-5H,1,6H2,2H3
InChIKeyIAGOFOREFDFAPG-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.69
Rot. Bonds8

About furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate

furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate (PubChem CID 67127109) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
PubChem CID67127109
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namefuran-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCc1ccco1.C=CC(=O)OCCOc1ccccc1
InChIInChI=1S/C11H12O3.C9H10O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-7(2)9(10)12-6-8-4-3-5-11-8/h2-7H,1,8-9H2;3-5H,1,6H2,2H3
InChIKeyIAGOFOREFDFAPG-UHFFFAOYSA-N
XLogP3.69
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
4-ethoxycarbonylpenta-2,4-dienoic acid;methyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 87113423
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
butyl prop-2-enoate;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;furan-2-ylmethyl 2-methylprop-2-enoate;5-methoxycarbonyl-2-methylhexa-2,5-dienoic acid
CID 67551502
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(2-phenoxyethyl) 2-acetyl-3-methylidenebutanedioate
CID 69167558
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The IUPAC name of furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate (CID 67127109) is furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate.
What is the SMILES notation for furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The canonical SMILES for furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate is C=C(C)C(=O)OCc1ccco1.C=CC(=O)OCCOc1ccccc1.
What is the InChIKey of furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
The InChIKey is IAGOFOREFDFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C9H10O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-7(2)9(10)12-6-8-4-3-5-11-8/h2-7H,1,8-9H2;3-5H,1,6H2,2H3.
What are the key properties of furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate?
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate has a molecular weight of 358.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate is sourced from PubChem (CID 67127109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).