3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C13H22O5 — CID 160952055

IUPAC3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCCOCC
InChIInChI=1S/C9H16O3.C4H6O2/c1-4-11-6-5-7-12-9(10)8(2)3;1-3(2)4(5)6/h2,4-7H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeySVWSDGFXYDDQIS-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.18
Rot. Bonds7

About 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 160952055) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID160952055
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCCOCC
InChIInChI=1S/C9H16O3.C4H6O2/c1-4-11-6-5-7-12-9(10)8(2)3;1-3(2)4(5)6/h2,4-7H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeySVWSDGFXYDDQIS-UHFFFAOYSA-N
XLogP2.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.18
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

3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 160952055) is 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OCCCOCC.
What is the InChIKey of 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is SVWSDGFXYDDQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C4H6O2/c1-4-11-6-5-7-12-9(10)8(2)3;1-3(2)4(5)6/h2,4-7H2,1,3H3;1H2,2H3,(H,5,6).
What are the key properties of 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 258.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 160952055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).