2-(2-methylbut-3-enoxy)oxane

C10H18O2 — CID 15625011

IUPAC2-(2-methylbut-3-enoxy)oxane
SMILESC=CC(C)COC1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyXAUOMPVBNHLWQX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-methylbut-3-enoxy)oxane

2-(2-methylbut-3-enoxy)oxane (PubChem CID 15625011) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-methylbut-3-enoxy)oxane.

Molecular Properties

Compound Name2-(2-methylbut-3-enoxy)oxane
PubChem CID15625011
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-methylbut-3-enoxy)oxane
SMILESC=CC(C)COC1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyXAUOMPVBNHLWQX-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-enoxy)oxane?
The IUPAC name of 2-(2-methylbut-3-enoxy)oxane (CID 15625011) is 2-(2-methylbut-3-enoxy)oxane.
What is the SMILES notation for 2-(2-methylbut-3-enoxy)oxane?
The canonical SMILES for 2-(2-methylbut-3-enoxy)oxane is C=CC(C)COC1CCCCO1.
What is the InChIKey of 2-(2-methylbut-3-enoxy)oxane?
The InChIKey is XAUOMPVBNHLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-(2-methylbut-3-enoxy)oxane?
2-(2-methylbut-3-enoxy)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-enoxy)oxane is sourced from PubChem (CID 15625011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).