cyclobutane;ethane-1,2-diol;oxirane

C8H18O3 — CID 87322567

IUPACcyclobutane;ethane-1,2-diol;oxirane
SMILESC1CCC1.C1CO1.OCCO
InChIInChI=1S/C4H8.C2H6O2.C2H4O/c1-2-4-3-1;3-1-2-4;1-2-3-1/h1-4H2;3-4H,1-2H2;1-2H2
InChIKeyDMLUZPLJNDMNSS-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.55
Rot. Bonds1

About cyclobutane;ethane-1,2-diol;oxirane

cyclobutane;ethane-1,2-diol;oxirane (PubChem CID 87322567) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is cyclobutane;ethane-1,2-diol;oxirane.

Molecular Properties

Compound Namecyclobutane;ethane-1,2-diol;oxirane
PubChem CID87322567
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Namecyclobutane;ethane-1,2-diol;oxirane
SMILESC1CCC1.C1CO1.OCCO
InChIInChI=1S/C4H8.C2H6O2.C2H4O/c1-2-4-3-1;3-1-2-4;1-2-3-1/h1-4H2;3-4H,1-2H2;1-2H2
InChIKeyDMLUZPLJNDMNSS-UHFFFAOYSA-N
XLogP0.55
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 cyclobutane;ethane-1,2-diol;oxirane?
The IUPAC name of cyclobutane;ethane-1,2-diol;oxirane (CID 87322567) is cyclobutane;ethane-1,2-diol;oxirane.
What is the SMILES notation for cyclobutane;ethane-1,2-diol;oxirane?
The canonical SMILES for cyclobutane;ethane-1,2-diol;oxirane is C1CCC1.C1CO1.OCCO.
What is the InChIKey of cyclobutane;ethane-1,2-diol;oxirane?
The InChIKey is DMLUZPLJNDMNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H6O2.C2H4O/c1-2-4-3-1;3-1-2-4;1-2-3-1/h1-4H2;3-4H,1-2H2;1-2H2.
What are the key properties of cyclobutane;ethane-1,2-diol;oxirane?
cyclobutane;ethane-1,2-diol;oxirane has a molecular weight of 162.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane-1,2-diol;oxirane is sourced from PubChem (CID 87322567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).