2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane

C14H28O6 — CID 6455865

IUPAC2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
SMILESC1CO1.C=CCOCC1CO1.CC(O)CO.CC1CO1
InChIInChI=1S/C6H10O2.C3H8O2.C3H6O.C2H4O/c1-2-3-7-4-6-5-8-6;1-3(5)2-4;1-3-2-4-3;1-2-3-1/h2,6H,1,3-5H2;3-5H,2H2,1H3;3H,2H2,1H3;1-2H2
InChIKeyFKLJIIDWXAJANT-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.37
Rot. Bonds5

About 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane

2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane (PubChem CID 6455865) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
PubChem CID6455865
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
SMILESC1CO1.C=CCOCC1CO1.CC(O)CO.CC1CO1
InChIInChI=1S/C6H10O2.C3H8O2.C3H6O.C2H4O/c1-2-3-7-4-6-5-8-6;1-3(5)2-4;1-3-2-4-3;1-2-3-1/h2,6H,1,3-5H2;3-5H,2H2,1H3;3H,2H2,1H3;1-2H2
InChIKeyFKLJIIDWXAJANT-UHFFFAOYSA-N
XLogP0.37
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane (CID 6455865) is 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane is C1CO1.C=CCOCC1CO1.CC(O)CO.CC1CO1.
What is the InChIKey of 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is FKLJIIDWXAJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H8O2.C3H6O.C2H4O/c1-2-3-7-4-6-5-8-6;1-3(5)2-4;1-3-2-4-3;1-2-3-1/h2,6H,1,3-5H2;3-5H,2H2,1H3;3H,2H2,1H3;1-2H2.
What are the key properties of 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 292.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 6455865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).