2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane

C12H18O3 — CID 56980724

IUPAC2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CCC1OC1COCC1OC1CC=C
InChIInChI=1S/C12H18O3/c1-3-5-9-11(14-9)7-13-8-12-10(15-12)6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyKRNXMHUUKZRTFI-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.69
Rot. Bonds8

About 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane

2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane (PubChem CID 56980724) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
PubChem CID56980724
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CCC1OC1COCC1OC1CC=C
InChIInChI=1S/C12H18O3/c1-3-5-9-11(14-9)7-13-8-12-10(15-12)6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyKRNXMHUUKZRTFI-UHFFFAOYSA-N
XLogP1.69
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane?
The IUPAC name of 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane (CID 56980724) is 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane.
What is the SMILES notation for 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane?
The canonical SMILES for 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane is C=CCC1OC1COCC1OC1CC=C.
What is the InChIKey of 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane?
The InChIKey is KRNXMHUUKZRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-9-11(14-9)7-13-8-12-10(15-12)6-4-2/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane?
2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane has a molecular weight of 210.27 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane is sourced from PubChem (CID 56980724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).