2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane

C10H18O3 — CID 88916378

IUPAC2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane
SMILESC=C(C)CCOCCOCC1CO1
InChIInChI=1S/C10H18O3/c1-9(2)3-4-11-5-6-12-7-10-8-13-10/h10H,1,3-8H2,2H3
InChIKeyXYNJDMZNHNQYMF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds8

About 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane

2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane (PubChem CID 88916378) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane
PubChem CID88916378
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane
SMILESC=C(C)CCOCCOCC1CO1
InChIInChI=1S/C10H18O3/c1-9(2)3-4-11-5-6-12-7-10-8-13-10/h10H,1,3-8H2,2H3
InChIKeyXYNJDMZNHNQYMF-UHFFFAOYSA-N
XLogP1.38
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane (CID 88916378) is 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane is C=C(C)CCOCCOCC1CO1.
What is the InChIKey of 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane?
The InChIKey is XYNJDMZNHNQYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)3-4-11-5-6-12-7-10-8-13-10/h10H,1,3-8H2,2H3.
What are the key properties of 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane?
2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-3-enoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 88916378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).