2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol

C18H32O6 — CID 161481650

IUPAC2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol
SMILESC=CC(CO)OC.C=CC(COC(C=C)CO)OC.C=CC1CO1
InChIInChI=1S/C9H16O3.C5H10O2.C4H6O/c1-4-8(6-10)12-7-9(5-2)11-3;1-3-5(4-6)7-2;1-2-4-3-5-4/h4-5,8-10H,1-2,6-7H2,3H3;3,5-6H,1,4H2,2H3;2,4H,1,3H2
InChIKeyWELBBHZYPBTKIH-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.50
Rot. Bonds11

About 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol

2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol (PubChem CID 161481650) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol
PubChem CID161481650
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol
SMILESC=CC(CO)OC.C=CC(COC(C=C)CO)OC.C=CC1CO1
InChIInChI=1S/C9H16O3.C5H10O2.C4H6O/c1-4-8(6-10)12-7-9(5-2)11-3;1-3-5(4-6)7-2;1-2-4-3-5-4/h4-5,8-10H,1-2,6-7H2,3H3;3,5-6H,1,4H2,2H3;2,4H,1,3H2
InChIKeyWELBBHZYPBTKIH-UHFFFAOYSA-N
XLogP1.50
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[1-[1-(1-Prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 10970113
2-Butoxybut-3-en-1-ol
CID 18426456
1-Hydroxy-2-tert-butoxy-3-butene
CID 19025070
2-butoxybut-3-en-1-ol;(E)-4-butoxybut-2-en-1-ol
CID 19778737
2-[2-(2-But-3-en-2-yloxyethoxy)ethoxy]ethanol
CID 19986593
2-[2-[2-(2-But-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 19986599
2-(2-Methoxybut-3-enoxy)but-3-en-1-ol
CID 20697416
1-[4-(2-Hydroxypropoxy)hexa-1,5-dien-3-yloxy]propan-2-ol
CID 21554281
2-[2-(2-Hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene
CID 22421285
2-[2-[2-[2-[2-(2-Prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 53908884
2-[2-[2-[2-(2-But-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 54151457
3-(4-Hydroxypent-1-en-3-yloxy)propane-1,2-diol
CID 57043047

Frequently Asked Questions

What is the IUPAC name of 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The IUPAC name of 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol (CID 161481650) is 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol.
What is the SMILES notation for 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The canonical SMILES for 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol is C=CC(CO)OC.C=CC(COC(C=C)CO)OC.C=CC1CO1.
What is the InChIKey of 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The InChIKey is WELBBHZYPBTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C5H10O2.C4H6O/c1-4-8(6-10)12-7-9(5-2)11-3;1-3-5(4-6)7-2;1-2-4-3-5-4/h4-5,8-10H,1-2,6-7H2,3H3;3,5-6H,1,4H2,2H3;2,4H,1,3H2.
What are the key properties of 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol has a molecular weight of 344.45 g/mol, XLogP of 1.50, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxirane;2-methoxybut-3-en-1-ol;2-(2-methoxybut-3-enoxy)but-3-en-1-ol is sourced from PubChem (CID 161481650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).