2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane

C15H26O2 — CID 558950

IUPAC2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane
SMILESC=CC(C)(CCC=C(C)C)OC1CCCCO1
InChIInChI=1S/C15H26O2/c1-5-15(4,11-8-9-13(2)3)17-14-10-6-7-12-16-14/h5,9,14H,1,6-8,10-12H2,2-4H3
InChIKeyGCGRNVBKNNFUFN-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds6

About 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane

2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane (PubChem CID 558950) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane.

Molecular Properties

Compound Name2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane
PubChem CID558950
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane
SMILESC=CC(C)(CCC=C(C)C)OC1CCCCO1
InChIInChI=1S/C15H26O2/c1-5-15(4,11-8-9-13(2)3)17-14-10-6-7-12-16-14/h5,9,14H,1,6-8,10-12H2,2-4H3
InChIKeyGCGRNVBKNNFUFN-UHFFFAOYSA-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-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane?
The IUPAC name of 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane (CID 558950) is 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane.
What is the SMILES notation for 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane?
The canonical SMILES for 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane is C=CC(C)(CCC=C(C)C)OC1CCCCO1.
What is the InChIKey of 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane?
The InChIKey is GCGRNVBKNNFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-15(4,11-8-9-13(2)3)17-14-10-6-7-12-16-14/h5,9,14H,1,6-8,10-12H2,2-4H3.
What are the key properties of 2-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane?
2-(3,7-dimethylocta-1,6-dien-3-yloxy)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-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane is sourced from PubChem (CID 558950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).