ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid

C12H22O7 — CID 174540877

IUPACethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid
SMILESC=COC(C)=O.CCOCCOCCOCC(=O)O
InChIInChI=1S/C8H16O5.C4H6O2/c1-2-11-3-4-12-5-6-13-7-8(9)10;1-3-6-4(2)5/h2-7H2,1H3,(H,9,10);3H,1H2,2H3
InChIKeyRIXAFRTUWSKJCO-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.83
Rot. Bonds10

About ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid

ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid (PubChem CID 174540877) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Nameethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid
PubChem CID174540877
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Nameethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid
SMILESC=COC(C)=O.CCOCCOCCOCC(=O)O
InChIInChI=1S/C8H16O5.C4H6O2/c1-2-11-3-4-12-5-6-13-7-8(9)10;1-3-6-4(2)5/h2-7H2,1H3,(H,9,10);3H,1H2,2H3
InChIKeyRIXAFRTUWSKJCO-UHFFFAOYSA-N
XLogP0.83
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
ethanol;ethenyl acetate
CID 87099759
ethenyl acetate
CID 7904
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
carbonic acid;diethyl carbonate;ethenyl acetate
CID 174977930
ethenyl acetate;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 159266076
2-ethoxyacetic acid
CID 159744705
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
dichloromethane;ethenyl acetate
CID 86614662
carbonofluoridic acid;ethenyl acetate
CID 157176220
CID 22321303
CID 22321303
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid?
The IUPAC name of ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid (CID 174540877) is ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid.
What is the SMILES notation for ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid?
The canonical SMILES for ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid is C=COC(C)=O.CCOCCOCCOCC(=O)O.
What is the InChIKey of ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid?
The InChIKey is RIXAFRTUWSKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.C4H6O2/c1-2-11-3-4-12-5-6-13-7-8(9)10;1-3-6-4(2)5/h2-7H2,1H3,(H,9,10);3H,1H2,2H3.
What are the key properties of ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid?
ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid has a molecular weight of 278.30 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid is sourced from PubChem (CID 174540877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).