2-(oxiran-2-yl)ethane-1,1-diol

C4H8O3 — CID 156784168

IUPAC2-(oxiran-2-yl)ethane-1,1-diol
SMILESOC(O)CC1CO1
InChIInChI=1S/C4H8O3/c5-4(6)1-3-2-7-3/h3-6H,1-2H2
InChIKeyFLVLHIDOHHSDMU-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.91
Rot. Bonds2

About 2-(oxiran-2-yl)ethane-1,1-diol

2-(oxiran-2-yl)ethane-1,1-diol (PubChem CID 156784168) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-(oxiran-2-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(oxiran-2-yl)ethane-1,1-diol
PubChem CID156784168
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-(oxiran-2-yl)ethane-1,1-diol
SMILESOC(O)CC1CO1
InChIInChI=1S/C4H8O3/c5-4(6)1-3-2-7-3/h3-6H,1-2H2
InChIKeyFLVLHIDOHHSDMU-UHFFFAOYSA-N
XLogP-0.91
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol
CID 10887864
1-(oxiran-2-yl)but-3-en-2-ol
CID 11051612
4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
2-(2-chloropropyl)oxirane
CID 22340851
2-(2-chloro-2-polanylethyl)oxirane
CID 175248511
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
2-hydroxy-1-(oxiran-2-yl)hex-4-en-3-one
CID 174639875

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)ethane-1,1-diol?
The IUPAC name of 2-(oxiran-2-yl)ethane-1,1-diol (CID 156784168) is 2-(oxiran-2-yl)ethane-1,1-diol.
What is the SMILES notation for 2-(oxiran-2-yl)ethane-1,1-diol?
The canonical SMILES for 2-(oxiran-2-yl)ethane-1,1-diol is OC(O)CC1CO1.
What is the InChIKey of 2-(oxiran-2-yl)ethane-1,1-diol?
The InChIKey is FLVLHIDOHHSDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-4(6)1-3-2-7-3/h3-6H,1-2H2.
What are the key properties of 2-(oxiran-2-yl)ethane-1,1-diol?
2-(oxiran-2-yl)ethane-1,1-diol has a molecular weight of 104.11 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)ethane-1,1-diol is sourced from PubChem (CID 156784168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).