3-(3,7-dimethyloct-6-enoxy)oxane

C15H28O2 — CID 558921

IUPAC3-(3,7-dimethyloct-6-enoxy)oxane
SMILESCC(C)=CCCC(C)CCOC1CCCOC1
InChIInChI=1S/C15H28O2/c1-13(2)6-4-7-14(3)9-11-17-15-8-5-10-16-12-15/h6,14-15H,4-5,7-12H2,1-3H3
InChIKeyDYGJDTCZOKEHIA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.95
Rot. Bonds7

About 3-(3,7-dimethyloct-6-enoxy)oxane

3-(3,7-dimethyloct-6-enoxy)oxane (PubChem CID 558921) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3,7-dimethyloct-6-enoxy)oxane.

Molecular Properties

Compound Name3-(3,7-dimethyloct-6-enoxy)oxane
PubChem CID558921
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-(3,7-dimethyloct-6-enoxy)oxane
SMILESCC(C)=CCCC(C)CCOC1CCCOC1
InChIInChI=1S/C15H28O2/c1-13(2)6-4-7-14(3)9-11-17-15-8-5-10-16-12-15/h6,14-15H,4-5,7-12H2,1-3H3
InChIKeyDYGJDTCZOKEHIA-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.95
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 3-(3,7-dimethyloct-6-enoxy)oxane?
The IUPAC name of 3-(3,7-dimethyloct-6-enoxy)oxane (CID 558921) is 3-(3,7-dimethyloct-6-enoxy)oxane.
What is the SMILES notation for 3-(3,7-dimethyloct-6-enoxy)oxane?
The canonical SMILES for 3-(3,7-dimethyloct-6-enoxy)oxane is CC(C)=CCCC(C)CCOC1CCCOC1.
What is the InChIKey of 3-(3,7-dimethyloct-6-enoxy)oxane?
The InChIKey is DYGJDTCZOKEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)6-4-7-14(3)9-11-17-15-8-5-10-16-12-15/h6,14-15H,4-5,7-12H2,1-3H3.
What are the key properties of 3-(3,7-dimethyloct-6-enoxy)oxane?
3-(3,7-dimethyloct-6-enoxy)oxane has a molecular weight of 240.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyloct-6-enoxy)oxane is sourced from PubChem (CID 558921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).