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

C10H18O2 — CID 10702299

IUPAC2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1CCCCO1
InChIInChI=1S/C10H18O2/c1-9(2)6-8-12-10-5-3-4-7-11-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyMNVMUVSCAQIZEE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

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

2-(3-methylbut-2-enoxy)oxane (PubChem CID 10702299) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)oxane.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)oxane
PubChem CID10702299
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1CCCCO1
InChIInChI=1S/C10H18O2/c1-9(2)6-8-12-10-5-3-4-7-11-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyMNVMUVSCAQIZEE-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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-(3-methylbut-2-enoxy)oxane?
The IUPAC name of 2-(3-methylbut-2-enoxy)oxane (CID 10702299) is 2-(3-methylbut-2-enoxy)oxane.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)oxane?
The canonical SMILES for 2-(3-methylbut-2-enoxy)oxane is CC(C)=CCOC1CCCCO1.
What is the InChIKey of 2-(3-methylbut-2-enoxy)oxane?
The InChIKey is MNVMUVSCAQIZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-8-12-10-5-3-4-7-11-10/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)oxane?
2-(3-methylbut-2-enoxy)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxy)oxane is sourced from PubChem (CID 10702299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).