1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate

C13H22O5 — CID 134229847

IUPAC1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC(C)OCC
InChIInChI=1S/C13H22O5/c1-6-8-15-9-10(3)13(14)18-12(5)17-11(4)16-7-2/h6,11-12H,1,3,7-9H2,2,4-5H3
InChIKeyVTXPKLQQHCOMPM-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.03
Rot. Bonds10

About 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate

1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229847) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229847
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC(C)OCC
InChIInChI=1S/C13H22O5/c1-6-8-15-9-10(3)13(14)18-12(5)17-11(4)16-7-2/h6,11-12H,1,3,7-9H2,2,4-5H3
InChIKeyVTXPKLQQHCOMPM-UHFFFAOYSA-N
XLogP2.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229849
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
CID 175565416
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
1-ethoxyethyl 2-ethoxyprop-2-enoate
CID 23499661
8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 165388739
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
CID 121308140
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 155660539
1-ethoxyethyl 2-pent-4-enylhept-6-enoate
CID 87574190
1-prop-2-enoxyethyl 2-benzylprop-2-enoate
CID 170169026
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
CID 163423904

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229847) is 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC(C)OC(C)OCC.
What is the InChIKey of 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is VTXPKLQQHCOMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-6-8-15-9-10(3)13(14)18-12(5)17-11(4)16-7-2/h6,11-12H,1,3,7-9H2,2,4-5H3.
What are the key properties of 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 258.31 g/mol, XLogP of 2.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).