propyl 2-(1-ethenoxyethoxy)prop-2-enoate

C10H16O4 — CID 174644413

IUPACpropyl 2-(1-ethenoxyethoxy)prop-2-enoate
SMILESC=COC(C)OC(=C)C(=O)OCCC
InChIInChI=1S/C10H16O4/c1-5-7-13-10(11)8(3)14-9(4)12-6-2/h6,9H,2-3,5,7H2,1,4H3
InChIKeyUGTVXRMORVPYPF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.98
Rot. Bonds7

About propyl 2-(1-ethenoxyethoxy)prop-2-enoate

propyl 2-(1-ethenoxyethoxy)prop-2-enoate (PubChem CID 174644413) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is propyl 2-(1-ethenoxyethoxy)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-(1-ethenoxyethoxy)prop-2-enoate
PubChem CID174644413
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namepropyl 2-(1-ethenoxyethoxy)prop-2-enoate
SMILESC=COC(C)OC(=C)C(=O)OCCC
InChIInChI=1S/C10H16O4/c1-5-7-13-10(11)8(3)14-9(4)12-6-2/h6,9H,2-3,5,7H2,1,4H3
InChIKeyUGTVXRMORVPYPF-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

bis(1-ethenoxyethyl) butanedioate
CID 87645266
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
2-[2-[2-[2-(1-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 174649038
1-O-propan-2-yl 3-O-propyl 2-oxopropanedioate
CID 54225091
propyl 2-octoxyprop-2-enoate
CID 139651501
propyl 4-hydroxy-2-methylidenepentanoate
CID 88746999
propyl 4-amino-2-methylpent-2-enoate
CID 173339937
propyl 2-bromoprop-2-enoate
CID 71576373
propyl 2-silylprop-2-enoate
CID 173152802
azane;propyl 2-methylprop-2-enoate
CID 172812841
ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
CID 175374157
ethyl 3-ethenoxy-2-methylidenebutanoate
CID 139891834

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-ethenoxyethoxy)prop-2-enoate?
The IUPAC name of propyl 2-(1-ethenoxyethoxy)prop-2-enoate (CID 174644413) is propyl 2-(1-ethenoxyethoxy)prop-2-enoate.
What is the SMILES notation for propyl 2-(1-ethenoxyethoxy)prop-2-enoate?
The canonical SMILES for propyl 2-(1-ethenoxyethoxy)prop-2-enoate is C=COC(C)OC(=C)C(=O)OCCC.
What is the InChIKey of propyl 2-(1-ethenoxyethoxy)prop-2-enoate?
The InChIKey is UGTVXRMORVPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7-13-10(11)8(3)14-9(4)12-6-2/h6,9H,2-3,5,7H2,1,4H3.
What are the key properties of propyl 2-(1-ethenoxyethoxy)prop-2-enoate?
propyl 2-(1-ethenoxyethoxy)prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1-ethenoxyethoxy)prop-2-enoate is sourced from PubChem (CID 174644413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).