oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate

C10H14O4 — CID 173416070

IUPACoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate
SMILESC=CC(CC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C10H14O4/c1-2-7(3-8-4-12-8)10(11)14-6-9-5-13-9/h2,7-9H,1,3-6H2
InChIKeyRMQMAVZDOLYCEY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.52
Rot. Bonds6

About oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate

oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate (PubChem CID 173416070) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate
PubChem CID173416070
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate
SMILESC=CC(CC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C10H14O4/c1-2-7(3-8-4-12-8)10(11)14-6-9-5-13-9/h2,7-9H,1,3-6H2
InChIKeyRMQMAVZDOLYCEY-UHFFFAOYSA-N
XLogP0.52
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

chloroethene;ethenyl acetate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate
CID 173416069
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis(oxiran-2-ylmethyl) 7-ethenyloctadecanedioate
CID 126599656
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
oxiran-2-ylmethyl 3-oxopent-4-enoate
CID 57267654
2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate?
The IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate (CID 173416070) is oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate?
The canonical SMILES for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate is C=CC(CC1CO1)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate?
The InChIKey is RMQMAVZDOLYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-7(3-8-4-12-8)10(11)14-6-9-5-13-9/h2,7-9H,1,3-6H2.
What are the key properties of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate?
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate is sourced from PubChem (CID 173416070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).