2-[(E)-3-methylpent-3-enoxy]oxane

C11H20O2 — CID 142552649

IUPAC2-[(E)-3-methylpent-3-enoxy]oxane
SMILESC/C=C(\C)CCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyVLJMZMYQLAHIMQ-XCVCLJGOSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-[(E)-3-methylpent-3-enoxy]oxane

2-[(E)-3-methylpent-3-enoxy]oxane (PubChem CID 142552649) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-methylpent-3-enoxy]oxane
PubChem CID142552649
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(E)-3-methylpent-3-enoxy]oxane
SMILESC/C=C(\C)CCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyVLJMZMYQLAHIMQ-XCVCLJGOSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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-[(E)-3-methylpent-3-enoxy]oxane?
The IUPAC name of 2-[(E)-3-methylpent-3-enoxy]oxane (CID 142552649) is 2-[(E)-3-methylpent-3-enoxy]oxane.
What is the SMILES notation for 2-[(E)-3-methylpent-3-enoxy]oxane?
The canonical SMILES for 2-[(E)-3-methylpent-3-enoxy]oxane is C/C=C(\C)CCOC1CCCCO1.
What is the InChIKey of 2-[(E)-3-methylpent-3-enoxy]oxane?
The InChIKey is VLJMZMYQLAHIMQ-XCVCLJGOSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h3,11H,4-9H2,1-2H3/b10-3+.
What are the key properties of 2-[(E)-3-methylpent-3-enoxy]oxane?
2-[(E)-3-methylpent-3-enoxy]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-3-enoxy]oxane is sourced from PubChem (CID 142552649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).