2-(2-methyloxiran-2-yl)ethanol

C5H10O2 — CID 10285780

IUPAC2-(2-methyloxiran-2-yl)ethanol
SMILESCC1(CCO)CO1
InChIInChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3
InChIKeyLMMGAGCAEGFLMD-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.16
Rot. Bonds2

About 2-(2-methyloxiran-2-yl)ethanol

2-(2-methyloxiran-2-yl)ethanol (PubChem CID 10285780) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2-(2-methyloxiran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyloxiran-2-yl)ethanol
PubChem CID10285780
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2-(2-methyloxiran-2-yl)ethanol
SMILESCC1(CCO)CO1
InChIInChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3
InChIKeyLMMGAGCAEGFLMD-UHFFFAOYSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-(2-methyloxiran-2-yl)ethanol?
The IUPAC name of 2-(2-methyloxiran-2-yl)ethanol (CID 10285780) is 2-(2-methyloxiran-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyloxiran-2-yl)ethanol?
The canonical SMILES for 2-(2-methyloxiran-2-yl)ethanol is CC1(CCO)CO1.
What is the InChIKey of 2-(2-methyloxiran-2-yl)ethanol?
The InChIKey is LMMGAGCAEGFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3.
What are the key properties of 2-(2-methyloxiran-2-yl)ethanol?
2-(2-methyloxiran-2-yl)ethanol has a molecular weight of 102.13 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxiran-2-yl)ethanol is sourced from PubChem (CID 10285780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).