2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate

C10H16O4 — CID 174745947

IUPAC2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCC1CO1
InChIInChI=1S/C10H16O4/c1-3-8(2)10(11)13-5-4-12-6-9-7-14-9/h3,9H,4-7H2,1-2H3
InChIKeyFLNFASCTFBNRRF-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds6

About 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate

2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate (PubChem CID 174745947) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
PubChem CID174745947
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCC1CO1
InChIInChI=1S/C10H16O4/c1-3-8(2)10(11)13-5-4-12-6-9-7-14-9/h3,9H,4-7H2,1-2H3
InChIKeyFLNFASCTFBNRRF-UHFFFAOYSA-N
XLogP0.91
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
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

2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 88716952
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
2-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate
CID 173211401
oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
(E)-3-methyl-4-(oxiran-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 22806703
2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
CID 21349115
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate
CID 91611990

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate?
The IUPAC name of 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate (CID 174745947) is 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate is CC=C(C)C(=O)OCCOCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate?
The InChIKey is FLNFASCTFBNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-8(2)10(11)13-5-4-12-6-9-7-14-9/h3,9H,4-7H2,1-2H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate?
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate is sourced from PubChem (CID 174745947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).