2-ethyloxirane;methanol

C5H12O2 — CID 19104627

IUPAC2-ethyloxirane;methanol
SMILESCCC1CO1.CO
InChIInChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3
InChIKeyVNVHFZVCGGUSMB-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.40
Rot. Bonds1

About 2-ethyloxirane;methanol

2-ethyloxirane;methanol (PubChem CID 19104627) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-ethyloxirane;methanol.

Molecular Properties

Compound Name2-ethyloxirane;methanol
PubChem CID19104627
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-ethyloxirane;methanol
SMILESCCC1CO1.CO
InChIInChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3
InChIKeyVNVHFZVCGGUSMB-UHFFFAOYSA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.40
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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Related Compounds

2-(Oxiran-2-yl)ethan-1-ol
CID 9964066
2-Ethyloxirane;propane-1,2-diol
CID 169379
Oxiraneethanol, (2R)-
CID 11829359
2-Propyn-1-ol compound with methyloxirane
CID 57349557
Methanol;2-methyloxirane;oxirane
CID 165778
But-2-yne-1,4-diol;2-methyloxirane
CID 170852278
Oxiraneethanol, (2S)-
CID 11469044
Butane-1,4-diol;2-methyloxirane
CID 17911785
Propylene oxide-methanol
CID 19098831
Ethane-1,2-diol;2-ethyloxirane
CID 23290341
Ethanol;2-methyloxirane;oxirane
CID 88288613
Potassium;2-ethyloxirane;2-hydroxypropan-1-olate
CID 44149683

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxirane;methanol?
The IUPAC name of 2-ethyloxirane;methanol (CID 19104627) is 2-ethyloxirane;methanol.
What is the SMILES notation for 2-ethyloxirane;methanol?
The canonical SMILES for 2-ethyloxirane;methanol is CCC1CO1.CO.
What is the InChIKey of 2-ethyloxirane;methanol?
The InChIKey is VNVHFZVCGGUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3.
What are the key properties of 2-ethyloxirane;methanol?
2-ethyloxirane;methanol has a molecular weight of 104.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxirane;methanol is sourced from PubChem (CID 19104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).