2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate

C11H20O4 — CID 15529247

IUPAC2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC(C)C
InChIInChI=1S/C11H20O4/c1-8(2)11(12)14-7-6-13-10(5)15-9(3)4/h9-10H,1,6-7H2,2-5H3
InChIKeyUEKOIKOTEFZQAZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds7

About 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate

2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 15529247) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID15529247
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC(C)C
InChIInChI=1S/C11H20O4/c1-8(2)11(12)14-7-6-13-10(5)15-9(3)4/h9-10H,1,6-7H2,2-5H3
InChIKeyUEKOIKOTEFZQAZ-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-(1-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 174649038
bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate
CID 101466549
2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 170637718
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
3-(1-silyloxyethoxy)propyl 2-methylprop-2-enoate
CID 173268591
2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 146337147
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate (CID 15529247) is 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)OC(C)C.
What is the InChIKey of 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is UEKOIKOTEFZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(2)11(12)14-7-6-13-10(5)15-9(3)4/h9-10H,1,6-7H2,2-5H3.
What are the key properties of 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate?
2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15529247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).