2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane

C16H30O3 — CID 68621129

IUPAC2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane
SMILESCCC(CCOCCC(CC)C1CCO1)C1CCO1
InChIInChI=1S/C16H30O3/c1-3-13(15-7-11-18-15)5-9-17-10-6-14(4-2)16-8-12-19-16/h13-16H,3-12H2,1-2H3
InChIKeyOEHRZOCAGVWNBM-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.41
Rot. Bonds10

About 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane

2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane (PubChem CID 68621129) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane.

Molecular Properties

Compound Name2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane
PubChem CID68621129
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane
SMILESCCC(CCOCCC(CC)C1CCO1)C1CCO1
InChIInChI=1S/C16H30O3/c1-3-13(15-7-11-18-15)5-9-17-10-6-14(4-2)16-8-12-19-16/h13-16H,3-12H2,1-2H3
InChIKeyOEHRZOCAGVWNBM-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane?
The IUPAC name of 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane (CID 68621129) is 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane.
What is the SMILES notation for 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane?
The canonical SMILES for 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane is CCC(CCOCCC(CC)C1CCO1)C1CCO1.
What is the InChIKey of 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane?
The InChIKey is OEHRZOCAGVWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-13(15-7-11-18-15)5-9-17-10-6-14(4-2)16-8-12-19-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane?
2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane has a molecular weight of 270.41 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(oxetan-2-yl)pentoxy]pentan-3-yl]oxetane is sourced from PubChem (CID 68621129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).