2-(3,7-dimethyloct-6-enoxy)oxane

C15H28O2 — CID 10868418

IUPAC2-(3,7-dimethyloct-6-enoxy)oxane
SMILESCC(C)=CCCC(C)CCOC1CCCCO1
InChIInChI=1S/C15H28O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyARPDULRBXDUJCK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds7

About 2-(3,7-dimethyloct-6-enoxy)oxane

2-(3,7-dimethyloct-6-enoxy)oxane (PubChem CID 10868418) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enoxy)oxane.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enoxy)oxane
PubChem CID10868418
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(3,7-dimethyloct-6-enoxy)oxane
SMILESCC(C)=CCCC(C)CCOC1CCCCO1
InChIInChI=1S/C15H28O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyARPDULRBXDUJCK-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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-(3,7-dimethyloct-6-enoxy)oxane?
The IUPAC name of 2-(3,7-dimethyloct-6-enoxy)oxane (CID 10868418) is 2-(3,7-dimethyloct-6-enoxy)oxane.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enoxy)oxane?
The canonical SMILES for 2-(3,7-dimethyloct-6-enoxy)oxane is CC(C)=CCCC(C)CCOC1CCCCO1.
What is the InChIKey of 2-(3,7-dimethyloct-6-enoxy)oxane?
The InChIKey is ARPDULRBXDUJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,14-15H,4-6,8-12H2,1-3H3.
What are the key properties of 2-(3,7-dimethyloct-6-enoxy)oxane?
2-(3,7-dimethyloct-6-enoxy)oxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enoxy)oxane is sourced from PubChem (CID 10868418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).