ethane;2-methyloxirane

C5H12O — CID 91614369

IUPACethane;2-methyloxirane
SMILESCC.CC1CO1
InChIInChI=1S/C3H6O.C2H6/c1-3-2-4-3;1-2/h3H,2H2,1H3;1-2H3
InChIKeyCASPZMCSNJZQMV-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.43
Rot. Bonds

About ethane;2-methyloxirane

ethane;2-methyloxirane (PubChem CID 91614369) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is ethane;2-methyloxirane.

Molecular Properties

Compound Nameethane;2-methyloxirane
PubChem CID91614369
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Nameethane;2-methyloxirane
SMILESCC.CC1CO1
InChIInChI=1S/C3H6O.C2H6/c1-3-2-4-3;1-2/h3H,2H2,1H3;1-2H3
InChIKeyCASPZMCSNJZQMV-UHFFFAOYSA-N
XLogP1.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;2-methyloxirane?
The IUPAC name of ethane;2-methyloxirane (CID 91614369) is ethane;2-methyloxirane.
What is the SMILES notation for ethane;2-methyloxirane?
The canonical SMILES for ethane;2-methyloxirane is CC.CC1CO1.
What is the InChIKey of ethane;2-methyloxirane?
The InChIKey is CASPZMCSNJZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H6/c1-3-2-4-3;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyloxirane?
ethane;2-methyloxirane has a molecular weight of 88.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyloxirane is sourced from PubChem (CID 91614369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).