benzyl 2-(2-methoxyethoxy)prop-2-enoate

C13H16O4 — CID 141018088

IUPACbenzyl 2-(2-methoxyethoxy)prop-2-enoate
SMILESC=C(OCCOC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H16O4/c1-11(16-9-8-15-2)13(14)17-10-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3
InChIKeyCNNJYIBHZKPKDN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.91
Rot. Bonds7

About benzyl 2-(2-methoxyethoxy)prop-2-enoate

benzyl 2-(2-methoxyethoxy)prop-2-enoate (PubChem CID 141018088) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is benzyl 2-(2-methoxyethoxy)prop-2-enoate.

Molecular Properties

Compound Namebenzyl 2-(2-methoxyethoxy)prop-2-enoate
PubChem CID141018088
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namebenzyl 2-(2-methoxyethoxy)prop-2-enoate
SMILESC=C(OCCOC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H16O4/c1-11(16-9-8-15-2)13(14)17-10-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3
InChIKeyCNNJYIBHZKPKDN-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
2-phenylmethoxyprop-2-enoic acid
CID 14954752
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
dibenzyl 2-(2-methoxyethyl)propanedioate
CID 54144551
methyl 2-(2-phenoxyethoxy)prop-2-enoate
CID 174353972
benzyl 2-amino-4-methoxybutanoate
CID 62479875
benzyl 2-triethylsilylprop-2-enoate
CID 139634273
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-methoxyethoxy)prop-2-enoate?
The IUPAC name of benzyl 2-(2-methoxyethoxy)prop-2-enoate (CID 141018088) is benzyl 2-(2-methoxyethoxy)prop-2-enoate.
What is the SMILES notation for benzyl 2-(2-methoxyethoxy)prop-2-enoate?
The canonical SMILES for benzyl 2-(2-methoxyethoxy)prop-2-enoate is C=C(OCCOC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-methoxyethoxy)prop-2-enoate?
The InChIKey is CNNJYIBHZKPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-11(16-9-8-15-2)13(14)17-10-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3.
What are the key properties of benzyl 2-(2-methoxyethoxy)prop-2-enoate?
benzyl 2-(2-methoxyethoxy)prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-methoxyethoxy)prop-2-enoate is sourced from PubChem (CID 141018088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).