2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane

C15H26O2 — CID 10889987

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane
SMILESCC(C)=CCC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C15H26O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,10,15H,4-6,8-9,11-12H2,1-3H3/b14-10+
InChIKeyJAINKEUHLGAETA-GXDHUFHOSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds6

About 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane (PubChem CID 10889987) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane
PubChem CID10889987
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane
SMILESCC(C)=CCC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C15H26O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,10,15H,4-6,8-9,11-12H2,1-3H3/b14-10+
InChIKeyJAINKEUHLGAETA-GXDHUFHOSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
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-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane (CID 10889987) is 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane is CC(C)=CCC/C(C)=C/COC1CCCCO1.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane?
The InChIKey is JAINKEUHLGAETA-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h7,10,15H,4-6,8-9,11-12H2,1-3H3/b14-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane?
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane has a molecular weight of 238.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane is sourced from PubChem (CID 10889987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).