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

C15H26O2 — CID 58958835

IUPAC3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
SMILESCC(C)=CCC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+
InChIKeyXSJKZYPVZVWAAC-RIYZIHGNSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds7

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

3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane (PubChem CID 58958835) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
PubChem CID58958835
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
SMILESCC(C)=CCC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+
InChIKeyXSJKZYPVZVWAAC-RIYZIHGNSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
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 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The IUPAC name of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane (CID 58958835) is 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane.
What is the SMILES notation for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The canonical SMILES for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane is CC(C)=CCC/C(C)=C/COCC1(C)COC1.
What is the InChIKey of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The InChIKey is XSJKZYPVZVWAAC-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+.
What are the key properties of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane has a molecular weight of 238.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane is sourced from PubChem (CID 58958835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).