2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane

C16H30O3 — CID 68621187

IUPAC2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
SMILESC(CCOCCCCCC1CCO1)CCC1CCO1
InChIInChI=1S/C16H30O3/c1(3-7-15-9-13-18-15)5-11-17-12-6-2-4-8-16-10-14-19-16/h15-16H,1-14H2
InChIKeySMYJNISMQSFLGV-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.70
Rot. Bonds12

About 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane

2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane (PubChem CID 68621187) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane.

Molecular Properties

Compound Name2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
PubChem CID68621187
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
SMILESC(CCOCCCCCC1CCO1)CCC1CCO1
InChIInChI=1S/C16H30O3/c1(3-7-15-9-13-18-15)5-11-17-12-6-2-4-8-16-10-14-19-16/h15-16H,1-14H2
InChIKeySMYJNISMQSFLGV-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.70
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-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
2-octadecyloxetane
CID 168986267
2-(4-dodecoxybutyl)oxirane
CID 22900888
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
CID 165009264
2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
CID 144531318
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
ethanol;2-pentadecyloxetane
CID 68938646
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one
CID 141116006

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane?
The IUPAC name of 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane (CID 68621187) is 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane.
What is the SMILES notation for 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane?
The canonical SMILES for 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane is C(CCOCCCCCC1CCO1)CCC1CCO1.
What is the InChIKey of 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane?
The InChIKey is SMYJNISMQSFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1(3-7-15-9-13-18-15)5-11-17-12-6-2-4-8-16-10-14-19-16/h15-16H,1-14H2.
What are the key properties of 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane?
2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane has a molecular weight of 270.41 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane is sourced from PubChem (CID 68621187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).