2-methylprop-2-enoxymethyl prop-2-enoate

C8H12O3 — CID 140613206

IUPAC2-methylprop-2-enoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC(=C)C
InChIInChI=1S/C8H12O3/c1-4-8(9)11-6-10-5-7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyAAVKBNXUJLNSHQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.27
Rot. Bonds5

About 2-methylprop-2-enoxymethyl prop-2-enoate

2-methylprop-2-enoxymethyl prop-2-enoate (PubChem CID 140613206) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethyl prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoxymethyl prop-2-enoate
PubChem CID140613206
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-methylprop-2-enoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC(=C)C
InChIInChI=1S/C8H12O3/c1-4-8(9)11-6-10-5-7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyAAVKBNXUJLNSHQ-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
CID 161479464
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
2-hydroxyethoxymethyl prop-2-enoate
CID 140530940
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
CID 167321925
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoxymethyl prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoxymethyl prop-2-enoate (CID 140613206) is 2-methylprop-2-enoxymethyl prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoxymethyl prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoxymethyl prop-2-enoate is C=CC(=O)OCOCC(=C)C.
What is the InChIKey of 2-methylprop-2-enoxymethyl prop-2-enoate?
The InChIKey is AAVKBNXUJLNSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-8(9)11-6-10-5-7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-methylprop-2-enoxymethyl prop-2-enoate?
2-methylprop-2-enoxymethyl prop-2-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethyl prop-2-enoate is sourced from PubChem (CID 140613206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).