2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane

C12H20O3 — CID 175565540

IUPAC2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane
SMILESC(CC(CC1CO1)CC1CO1)CC1CO1
InChIInChI=1S/C12H20O3/c1(3-10-6-13-10)2-9(4-11-7-14-11)5-12-8-15-12/h9-12H,1-8H2
InChIKeyWRBJYLXIRGVJIE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.75
Rot. Bonds8

About 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane

2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane (PubChem CID 175565540) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane.

Molecular Properties

Compound Name2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane
PubChem CID175565540
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane
SMILESC(CC(CC1CO1)CC1CO1)CC1CO1
InChIInChI=1S/C12H20O3/c1(3-10-6-13-10)2-9(4-11-7-14-11)5-12-8-15-12/h9-12H,1-8H2
InChIKeyWRBJYLXIRGVJIE-UHFFFAOYSA-N
XLogP1.75
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane?
The IUPAC name of 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane (CID 175565540) is 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane.
What is the SMILES notation for 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane?
The canonical SMILES for 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane is C(CC(CC1CO1)CC1CO1)CC1CO1.
What is the InChIKey of 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane?
The InChIKey is WRBJYLXIRGVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1(3-10-6-13-10)2-9(4-11-7-14-11)5-12-8-15-12/h9-12H,1-8H2.
What are the key properties of 2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane?
2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane has a molecular weight of 212.29 g/mol, XLogP of 1.75, 8 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)-2-(oxiran-2-ylmethyl)pentyl]oxirane is sourced from PubChem (CID 175565540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).