3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate

C12H20O4 — CID 141227819

IUPAC3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOCC(C)C1CO1
InChIInChI=1S/C12H20O4/c1-9(2)12(13)15-6-4-5-14-7-10(3)11-8-16-11/h10-11H,1,4-8H2,2-3H3
InChIKeyLWEXNGFDMQZURK-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.55
Rot. Bonds8

About 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate

3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate (PubChem CID 141227819) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate
PubChem CID141227819
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOCC(C)C1CO1
InChIInChI=1S/C12H20O4/c1-9(2)12(13)15-6-4-5-14-7-10(3)11-8-16-11/h10-11H,1,4-8H2,2-3H3
InChIKeyLWEXNGFDMQZURK-UHFFFAOYSA-N
XLogP1.55
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
3-(oxiran-2-yl)butyl 2-methylidenebutanoate
CID 141152809
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 160952055
(5-hydroxy-4-methylhexyl) 2-methylprop-2-enoate
CID 173435405
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate (CID 141227819) is 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOCC(C)C1CO1.
What is the InChIKey of 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate?
The InChIKey is LWEXNGFDMQZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-9(2)12(13)15-6-4-5-14-7-10(3)11-8-16-11/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate?
3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 141227819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).