3,3-diethoxypropyl 2-methylprop-2-enoate

C11H20O4 — CID 22403498

IUPAC3,3-diethoxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(OCC)OCC
InChIInChI=1S/C11H20O4/c1-5-13-10(14-6-2)7-8-15-11(12)9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyCPARKAXEDHCHNX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds8

About 3,3-diethoxypropyl 2-methylprop-2-enoate

3,3-diethoxypropyl 2-methylprop-2-enoate (PubChem CID 22403498) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,3-diethoxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,3-diethoxypropyl 2-methylprop-2-enoate
PubChem CID22403498
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3,3-diethoxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(OCC)OCC
InChIInChI=1S/C11H20O4/c1-5-13-10(14-6-2)7-8-15-11(12)9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyCPARKAXEDHCHNX-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Methacrolein diacetate
CID 25305
Neopentyl glycol dimethacrylate
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2-Propenoic acid, 2-methyl-, 1,1'-(1,3-propanediyl) ester
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1-Ethoxyethyl Methacrylate (stabilized with MEHQ)
CID 20193345
Methylene dimethacrylate
CID 10125117
Etakril
CID 161501
Oxolan-2-yl 2-methylprop-2-enoate
CID 154299
Ethane-1,1-diyl bis(2-methylprop-2-enoate)
CID 21226384
2-Propenoic acid, 2-methyl-, 1,1'-(1,3-propanediylbis(oxy-3,1-propanediyl)) ester
CID 111722
2-[1-(Acetoxy)-ethoxy]ethyl methacrylate
CID 11106763
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
CID 11229968
Ethyl alpha-(methoxymethoxymethyl)acrylate
CID 15153939

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxypropyl 2-methylprop-2-enoate?
The IUPAC name of 3,3-diethoxypropyl 2-methylprop-2-enoate (CID 22403498) is 3,3-diethoxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3,3-diethoxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 3,3-diethoxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(OCC)OCC.
What is the InChIKey of 3,3-diethoxypropyl 2-methylprop-2-enoate?
The InChIKey is CPARKAXEDHCHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-13-10(14-6-2)7-8-15-11(12)9(3)4/h10H,3,5-8H2,1-2,4H3.
What are the key properties of 3,3-diethoxypropyl 2-methylprop-2-enoate?
3,3-diethoxypropyl 2-methylprop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 22403498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).