2-[5-(oxiran-2-yl)pentoxy]oxane

C12H22O3 — CID 169009121

IUPAC2-[5-(oxiran-2-yl)pentoxy]oxane
SMILESC(CCOC1CCCCO1)CCC1CO1
InChIInChI=1S/C12H22O3/c1(2-6-11-10-15-11)4-8-13-12-7-3-5-9-14-12/h11-12H,1-10H2
InChIKeyVJWGOCGOIRQZJF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.49
Rot. Bonds7

About 2-[5-(oxiran-2-yl)pentoxy]oxane

2-[5-(oxiran-2-yl)pentoxy]oxane (PubChem CID 169009121) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[5-(oxiran-2-yl)pentoxy]oxane.

Molecular Properties

Compound Name2-[5-(oxiran-2-yl)pentoxy]oxane
PubChem CID169009121
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[5-(oxiran-2-yl)pentoxy]oxane
SMILESC(CCOC1CCCCO1)CCC1CO1
InChIInChI=1S/C12H22O3/c1(2-6-11-10-15-11)4-8-13-12-7-3-5-9-14-12/h11-12H,1-10H2
InChIKeyVJWGOCGOIRQZJF-UHFFFAOYSA-N
XLogP2.49
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
CID 85231493
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
2-(18-iodooctadecoxy)oxane
CID 86124950
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
zinc 2-(3-bromopropoxy)oxane
CID 175895645

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxiran-2-yl)pentoxy]oxane?
The IUPAC name of 2-[5-(oxiran-2-yl)pentoxy]oxane (CID 169009121) is 2-[5-(oxiran-2-yl)pentoxy]oxane.
What is the SMILES notation for 2-[5-(oxiran-2-yl)pentoxy]oxane?
The canonical SMILES for 2-[5-(oxiran-2-yl)pentoxy]oxane is C(CCOC1CCCCO1)CCC1CO1.
What is the InChIKey of 2-[5-(oxiran-2-yl)pentoxy]oxane?
The InChIKey is VJWGOCGOIRQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1(2-6-11-10-15-11)4-8-13-12-7-3-5-9-14-12/h11-12H,1-10H2.
What are the key properties of 2-[5-(oxiran-2-yl)pentoxy]oxane?
2-[5-(oxiran-2-yl)pentoxy]oxane has a molecular weight of 214.30 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxiran-2-yl)pentoxy]oxane is sourced from PubChem (CID 169009121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).