2-[3-(oxiran-2-yl)propyl]oxirane

C7H12O2 — CID 20241

IUPAC2-[3-(oxiran-2-yl)propyl]oxirane
SMILESC(CC1CO1)CC1CO1
InChIInChI=1S/C7H12O2/c1(2-6-4-8-6)3-7-5-9-7/h6-7H,1-5H2
InChIKeyQWWBCQNZFMNNKJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.95
Rot. Bonds4

About 2-[3-(oxiran-2-yl)propyl]oxirane

2-[3-(oxiran-2-yl)propyl]oxirane (PubChem CID 20241) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[3-(oxiran-2-yl)propyl]oxirane.

Molecular Properties

Compound Name2-[3-(oxiran-2-yl)propyl]oxirane
PubChem CID20241
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[3-(oxiran-2-yl)propyl]oxirane
SMILESC(CC1CO1)CC1CO1
InChIInChI=1S/C7H12O2/c1(2-6-4-8-6)3-7-5-9-7/h6-7H,1-5H2
InChIKeyQWWBCQNZFMNNKJ-UHFFFAOYSA-N
XLogP0.95
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(oxiran-2-yl)propyl]oxirane?
The IUPAC name of 2-[3-(oxiran-2-yl)propyl]oxirane (CID 20241) is 2-[3-(oxiran-2-yl)propyl]oxirane.
What is the SMILES notation for 2-[3-(oxiran-2-yl)propyl]oxirane?
The canonical SMILES for 2-[3-(oxiran-2-yl)propyl]oxirane is C(CC1CO1)CC1CO1.
What is the InChIKey of 2-[3-(oxiran-2-yl)propyl]oxirane?
The InChIKey is QWWBCQNZFMNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1(2-6-4-8-6)3-7-5-9-7/h6-7H,1-5H2.
What are the key properties of 2-[3-(oxiran-2-yl)propyl]oxirane?
2-[3-(oxiran-2-yl)propyl]oxirane has a molecular weight of 128.17 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-yl)propyl]oxirane is sourced from PubChem (CID 20241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).