cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C13H26O5 — CID 88518341

IUPACcyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1CCCC1.OCCO
InChIInChI=1S/C6H10O3.C5H10.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1;3-1-2-4/h5-6H,1-4H2;1-5H2;3-4H,1-2H2
InChIKeyMABOIHSUCSRHHQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.72
Rot. Bonds5

About cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 88518341) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namecyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID88518341
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Namecyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1CCCC1.OCCO
InChIInChI=1S/C6H10O3.C5H10.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1;3-1-2-4/h5-6H,1-4H2;1-5H2;3-4H,1-2H2
InChIKeyMABOIHSUCSRHHQ-UHFFFAOYSA-N
XLogP0.72
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87835873
2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87212352
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 88518341) is cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C1CCCC1.OCCO.
What is the InChIKey of cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is MABOIHSUCSRHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H10.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1;3-1-2-4/h5-6H,1-4H2;1-5H2;3-4H,1-2H2.
What are the key properties of cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 262.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 88518341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).