3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde

C12H22O4 — CID 161479464

IUPAC3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
SMILESC=C(C)COCC.C=CC(=O)OCC.C=O
InChIInChI=1S/C6H12O.C5H8O2.CH2O/c1-4-7-5-6(2)3;1-3-5(6)7-4-2;1-2/h2,4-5H2,1,3H3;3H,1,4H2,2H3;1H2
InChIKeyWEDWBTJMJKGDCK-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.15
Rot. Bonds5

About 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde

3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde (PubChem CID 161479464) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
PubChem CID161479464
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
SMILESC=C(C)COCC.C=CC(=O)OCC.C=O
InChIInChI=1S/C6H12O.C5H8O2.CH2O/c1-4-7-5-6(2)3;1-3-5(6)7-4-2;1-2/h2,4-5H2,1,3H3;3H,1,4H2,2H3;1H2
InChIKeyWEDWBTJMJKGDCK-UHFFFAOYSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde?
The IUPAC name of 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde (CID 161479464) is 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde.
What is the SMILES notation for 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde?
The canonical SMILES for 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde is C=C(C)COCC.C=CC(=O)OCC.C=O.
What is the InChIKey of 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde?
The InChIKey is WEDWBTJMJKGDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H8O2.CH2O/c1-4-7-5-6(2)3;1-3-5(6)7-4-2;1-2/h2,4-5H2,1,3H3;3H,1,4H2,2H3;1H2.
What are the key properties of 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde?
3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde has a molecular weight of 230.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde is sourced from PubChem (CID 161479464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).