3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane

C14H24O2 — CID 58730172

IUPAC3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane
SMILESC/C=C/CC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-13(2)8-9-15-10-14(3)11-16-12-14/h4-5,8H,6-7,9-12H2,1-3H3/b5-4+,13-8+
InChIKeyFGCMKBBDEZHLQF-VDXACTLNSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds7

About 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane

3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane (PubChem CID 58730172) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane
PubChem CID58730172
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane
SMILESC/C=C/CC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-13(2)8-9-15-10-14(3)11-16-12-14/h4-5,8H,6-7,9-12H2,1-3H3/b5-4+,13-8+
InChIKeyFGCMKBBDEZHLQF-VDXACTLNSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
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-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane?
The IUPAC name of 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane (CID 58730172) is 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane.
What is the SMILES notation for 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane?
The canonical SMILES for 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane is C/C=C/CC/C(C)=C/COCC1(C)COC1.
What is the InChIKey of 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane?
The InChIKey is FGCMKBBDEZHLQF-VDXACTLNSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-13(2)8-9-15-10-14(3)11-16-12-14/h4-5,8H,6-7,9-12H2,1-3H3/b5-4+,13-8+.
What are the key properties of 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane?
3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane has a molecular weight of 224.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane is sourced from PubChem (CID 58730172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).