1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate

C13H24O6 — CID 174987831

IUPAC1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(C)OC(C)OC(C)OCC
InChIInChI=1S/C13H24O6/c1-7-13(14)19-12(6)18-11(5)17-10(4)16-9(3)15-8-2/h7,9-12H,1,8H2,2-6H3
InChIKeyVDCSFUIKTFUFPN-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.19
Rot. Bonds10

About 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate

1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 174987831) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
PubChem CID174987831
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(C)OC(C)OC(C)OCC
InChIInChI=1S/C13H24O6/c1-7-13(14)19-12(6)18-11(5)17-10(4)16-9(3)15-8-2/h7,9-12H,1,8H2,2-6H3
InChIKeyVDCSFUIKTFUFPN-UHFFFAOYSA-N
XLogP2.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
[ethoxy(methoxy)methyl] prop-2-enoate
CID 87919387
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 prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
1-(1-prop-1-enoxyethoxy)ethyl prop-2-enoate
CID 173109179
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
CID 172734708
CID 172734708
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
1-[1-[1-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 175190868
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate (CID 174987831) is 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OC(C)OC(C)OC(C)OC(C)OCC.
What is the InChIKey of 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is VDCSFUIKTFUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-7-13(14)19-12(6)18-11(5)17-10(4)16-9(3)15-8-2/h7,9-12H,1,8H2,2-6H3.
What are the key properties of 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate?
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 174987831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).