2-(7-methylnon-8-enoxy)oxane

C15H28O2 — CID 134966880

IUPAC2-(7-methylnon-8-enoxy)oxane
SMILESC=CC(C)CCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h3,14-15H,1,4-13H2,2H3
InChIKeyZSFUDYAWQXVJQR-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds9

About 2-(7-methylnon-8-enoxy)oxane

2-(7-methylnon-8-enoxy)oxane (PubChem CID 134966880) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(7-methylnon-8-enoxy)oxane.

Molecular Properties

Compound Name2-(7-methylnon-8-enoxy)oxane
PubChem CID134966880
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(7-methylnon-8-enoxy)oxane
SMILESC=CC(C)CCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h3,14-15H,1,4-13H2,2H3
InChIKeyZSFUDYAWQXVJQR-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnon-8-enoxy)oxane?
The IUPAC name of 2-(7-methylnon-8-enoxy)oxane (CID 134966880) is 2-(7-methylnon-8-enoxy)oxane.
What is the SMILES notation for 2-(7-methylnon-8-enoxy)oxane?
The canonical SMILES for 2-(7-methylnon-8-enoxy)oxane is C=CC(C)CCCCCCOC1CCCCO1.
What is the InChIKey of 2-(7-methylnon-8-enoxy)oxane?
The InChIKey is ZSFUDYAWQXVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 2-(7-methylnon-8-enoxy)oxane?
2-(7-methylnon-8-enoxy)oxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnon-8-enoxy)oxane is sourced from PubChem (CID 134966880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).