2-methoxyethyl acetate;2-methylprop-2-enoic acid

C9H16O5 — CID 162012493

IUPAC2-methoxyethyl acetate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C4H6O2/c1-5(6)8-4-3-7-2;1-3(2)4(5)6/h3-4H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyYTQUWLGYDFXHBU-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.84
Rot. Bonds4

About 2-methoxyethyl acetate;2-methylprop-2-enoic acid

2-methoxyethyl acetate;2-methylprop-2-enoic acid (PubChem CID 162012493) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-methoxyethyl acetate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-methoxyethyl acetate;2-methylprop-2-enoic acid
PubChem CID162012493
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-methoxyethyl acetate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C4H6O2/c1-5(6)8-4-3-7-2;1-3(2)4(5)6/h3-4H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyYTQUWLGYDFXHBU-UHFFFAOYSA-N
XLogP0.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclopropane;2-methoxyethyl acetate
CID 69413766
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
methane;4-methoxybutyl acetate
CID 160669604
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
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]ethyl 2-methylprop-2-enoate
CID 22918033
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]ethyl 2-methylprop-2-enoate;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]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
1,2-dimethoxyethane;ethyl acetate
CID 87198031
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl acetate;2-methylprop-2-enoic acid?
The IUPAC name of 2-methoxyethyl acetate;2-methylprop-2-enoic acid (CID 162012493) is 2-methoxyethyl acetate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-methoxyethyl acetate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-methoxyethyl acetate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.COCCOC(C)=O.
What is the InChIKey of 2-methoxyethyl acetate;2-methylprop-2-enoic acid?
The InChIKey is YTQUWLGYDFXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H6O2/c1-5(6)8-4-3-7-2;1-3(2)4(5)6/h3-4H2,1-2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methoxyethyl acetate;2-methylprop-2-enoic acid?
2-methoxyethyl acetate;2-methylprop-2-enoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl acetate;2-methylprop-2-enoic acid is sourced from PubChem (CID 162012493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).