4-(3-methylbut-1-en-2-yloxy)oxane

C10H18O2 — CID 59677260

IUPAC4-(3-methylbut-1-en-2-yloxy)oxane
SMILESC=C(OC1CCOCC1)C(C)C
InChIInChI=1S/C10H18O2/c1-8(2)9(3)12-10-4-6-11-7-5-10/h8,10H,3-7H2,1-2H3
InChIKeyUDWOECUETBJHAP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-methylbut-1-en-2-yloxy)oxane

4-(3-methylbut-1-en-2-yloxy)oxane (PubChem CID 59677260) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(3-methylbut-1-en-2-yloxy)oxane.

Molecular Properties

Compound Name4-(3-methylbut-1-en-2-yloxy)oxane
PubChem CID59677260
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(3-methylbut-1-en-2-yloxy)oxane
SMILESC=C(OC1CCOCC1)C(C)C
InChIInChI=1S/C10H18O2/c1-8(2)9(3)12-10-4-6-11-7-5-10/h8,10H,3-7H2,1-2H3
InChIKeyUDWOECUETBJHAP-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-en-2-yloxy)oxane?
The IUPAC name of 4-(3-methylbut-1-en-2-yloxy)oxane (CID 59677260) is 4-(3-methylbut-1-en-2-yloxy)oxane.
What is the SMILES notation for 4-(3-methylbut-1-en-2-yloxy)oxane?
The canonical SMILES for 4-(3-methylbut-1-en-2-yloxy)oxane is C=C(OC1CCOCC1)C(C)C.
What is the InChIKey of 4-(3-methylbut-1-en-2-yloxy)oxane?
The InChIKey is UDWOECUETBJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)9(3)12-10-4-6-11-7-5-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-(3-methylbut-1-en-2-yloxy)oxane?
4-(3-methylbut-1-en-2-yloxy)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-en-2-yloxy)oxane is sourced from PubChem (CID 59677260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).