2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane

C20H38O3 — CID 68619255

IUPAC2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
SMILESCCCCCCC(OC(CCCCCC)C1CCO1)C1CCO1
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-19(17-13-15-21-17)23-20(18-14-16-22-18)12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyLCVJPVWZAMHRFJ-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.26
Rot. Bonds14

About 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane

2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane (PubChem CID 68619255) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane.

Molecular Properties

Compound Name2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
PubChem CID68619255
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
SMILESCCCCCCC(OC(CCCCCC)C1CCO1)C1CCO1
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-19(17-13-15-21-17)23-20(18-14-16-22-18)12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyLCVJPVWZAMHRFJ-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methoxymethoxy)undecyl]oxolane
CID 87669321
2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
CID 175060731
2-(1-tetradecoxyicosyl)oxirane
CID 88767792
2-[(E)-1-[(E)-1-(oxiran-2-yl)hexadec-4-enoxy]hexadec-4-enyl]oxirane
CID 135377322
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
2-(1-cyclopropylpentyl)oxetane
CID 174056372
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
1-(dichloromethoxy)decylcyclopropane
CID 172859806
2-[1-[1-(2-oxocyclopropyl)pentadecoxy]pentadecyl]cyclopropan-1-one
CID 69436935

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane?
The IUPAC name of 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane (CID 68619255) is 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane.
What is the SMILES notation for 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane?
The canonical SMILES for 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane is CCCCCCC(OC(CCCCCC)C1CCO1)C1CCO1.
What is the InChIKey of 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane?
The InChIKey is LCVJPVWZAMHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-9-11-19(17-13-15-21-17)23-20(18-14-16-22-18)12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane?
2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane has a molecular weight of 326.52 g/mol, XLogP of 5.26, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane is sourced from PubChem (CID 68619255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).