ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol

C9H16O4 — CID 89183778

IUPACethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol
SMILESC=COC=C.OCC1(CO)COC1
InChIInChI=1S/C5H10O3.C4H6O/c6-1-5(2-7)3-8-4-5;1-3-5-4-2/h6-7H,1-4H2;3-4H,1-2H2
InChIKeyBKBYVYMRWYZDSA-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.28
Rot. Bonds4

About ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol

ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol (PubChem CID 89183778) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Nameethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol
PubChem CID89183778
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol
SMILESC=COC=C.OCC1(CO)COC1
InChIInChI=1S/C5H10O3.C4H6O/c6-1-5(2-7)3-8-4-5;1-3-5-4-2/h6-7H,1-4H2;3-4H,1-2H2
InChIKeyBKBYVYMRWYZDSA-UHFFFAOYSA-N
XLogP0.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol?
The IUPAC name of ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol (CID 89183778) is ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol.
What is the SMILES notation for ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol?
The canonical SMILES for ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol is C=COC=C.OCC1(CO)COC1.
What is the InChIKey of ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol?
The InChIKey is BKBYVYMRWYZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H6O/c6-1-5(2-7)3-8-4-5;1-3-5-4-2/h6-7H,1-4H2;3-4H,1-2H2.
What are the key properties of ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol?
ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 89183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).