[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate

C17H26O8 — CID 139503569

IUPAC[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C17H26O8/c1-2-16(18)25-12-17(9-19-3-13-6-22-13,10-20-4-14-7-23-14)11-21-5-15-8-24-15/h2,13-15H,1,3-12H2
InChIKeyHYCVLRWZCPSZJE-UHFFFAOYSA-N
MW358.39 g/mol
LogP-0.05
Rot. Bonds15

About [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate

[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate (PubChem CID 139503569) has the molecular formula C17H26O8 and a molecular weight of 358.39 g/mol. Its IUPAC name is [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
PubChem CID139503569
Molecular FormulaC17H26O8
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C17H26O8/c1-2-16(18)25-12-17(9-19-3-13-6-22-13,10-20-4-14-7-23-14)11-21-5-15-8-24-15/h2,13-15H,1,3-12H2
InChIKeyHYCVLRWZCPSZJE-UHFFFAOYSA-N
XLogP-0.05
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 prop-2-enoate;sulfane
CID 174424436
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
[2,2-bis(hydroxymethyl)-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 89388463
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
[2-(formyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
CID 89368794

Frequently Asked Questions

What is the IUPAC name of [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate?
The IUPAC name of [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate (CID 139503569) is [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate.
What is the SMILES notation for [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate?
The canonical SMILES for [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate is C=CC(=O)OCC(COCC1CO1)(COCC1CO1)COCC1CO1.
What is the InChIKey of [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate?
The InChIKey is HYCVLRWZCPSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O8/c1-2-16(18)25-12-17(9-19-3-13-6-22-13,10-20-4-14-7-23-14)11-21-5-15-8-24-15/h2,13-15H,1,3-12H2.
What are the key properties of [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate?
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate has a molecular weight of 358.39 g/mol, XLogP of -0.05, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate is sourced from PubChem (CID 139503569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).