3-ethylideneoxiran-2-ol

C4H6O2 — CID 123227088

IUPAC3-ethylideneoxiran-2-ol
SMILESCC=C1OC1O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2,4-5H,1H3
InChIKeyFSSFSKXMAGWUAR-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.24
Rot. Bonds

About 3-ethylideneoxiran-2-ol

3-ethylideneoxiran-2-ol (PubChem CID 123227088) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 3-ethylideneoxiran-2-ol.

Molecular Properties

Compound Name3-ethylideneoxiran-2-ol
PubChem CID123227088
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name3-ethylideneoxiran-2-ol
SMILESCC=C1OC1O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2,4-5H,1H3
InChIKeyFSSFSKXMAGWUAR-UHFFFAOYSA-N
XLogP0.24
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.24
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

(3Z,6Z)-3,6-di(ethylidene)-5-hydroxy-1,4-dioxan-2-one
CID 146553663
(4E)-4-ethylidene-3-methyloxetan-2-one
CID 18720715
(3R,4E)-4-ethylidene-3-methyloxetan-2-one
CID 134893121
3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
CID 130125540
cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
CID 143238744
(1R,2Z)-2-ethylidenecyclobutan-1-ol
CID 174038570
2-ethylidene-4-(2-ethylidene-1,3-dioxolan-4-yl)-1,3-dioxolane
CID 69115610
(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol
CID 141190130
4-ethylidenedioxolane
CID 175249305
4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 59573960
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798

Frequently Asked Questions

What is the IUPAC name of 3-ethylideneoxiran-2-ol?
The IUPAC name of 3-ethylideneoxiran-2-ol (CID 123227088) is 3-ethylideneoxiran-2-ol.
What is the SMILES notation for 3-ethylideneoxiran-2-ol?
The canonical SMILES for 3-ethylideneoxiran-2-ol is CC=C1OC1O.
What is the InChIKey of 3-ethylideneoxiran-2-ol?
The InChIKey is FSSFSKXMAGWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2,4-5H,1H3.
What are the key properties of 3-ethylideneoxiran-2-ol?
3-ethylideneoxiran-2-ol has a molecular weight of 86.09 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylideneoxiran-2-ol is sourced from PubChem (CID 123227088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).