oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate

C10H14O4 — CID 44520174

IUPACoxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate
SMILESC=C(CCC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C10H14O4/c1-7(2-3-8-4-12-8)10(11)14-6-9-5-13-9/h8-9H,1-6H2
InChIKeyTXEAFBOUTINSFB-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.66
Rot. Bonds6

About oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate

oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate (PubChem CID 44520174) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate
PubChem CID44520174
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameoxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate
SMILESC=C(CCC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C10H14O4/c1-7(2-3-8-4-12-8)10(11)14-6-9-5-13-9/h8-9H,1-6H2
InChIKeyTXEAFBOUTINSFB-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 57069933
1-O-methyl 5-O-(oxiran-2-ylmethyl) 2-methylidenepentanedioate
CID 18974167
Bis(oxiran-2-ylmethyl) 2-methylidenepentanedioate
CID 18974169
2-[2-Methylidene-4-(oxiran-2-yl)butanoyl]oxyethyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 19362020
Oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate
CID 19937718
Butyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 22572110
Propyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 54119625
Methyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 54394979
2-Methylidene-4-(oxiran-2-yl)butanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87087057
2-Methylidene-4-(oxiran-2-yl)butanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87439948
Ethyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 87453977
2-[2-Methylidene-4-(oxiran-2-yl)butanoyl]oxypropyl 2-methylidene-4-(oxiran-2-yl)butanoate
CID 87605008

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate (CID 44520174) is oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate is C=C(CCC1CO1)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate?
The InChIKey is TXEAFBOUTINSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(2-3-8-4-12-8)10(11)14-6-9-5-13-9/h8-9H,1-6H2.
What are the key properties of oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate?
oxiran-2-ylmethyl 2-methylidene-4-(oxiran-2-yl)butanoate has a molecular weight of 198.22 g/mol, XLogP of 0.66, 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-methylidene-4-(oxiran-2-yl)butanoate is sourced from PubChem (CID 44520174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).