(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C10H18O5 — CID 87871261

IUPAC(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OC/C=C\CO
InChIInChI=1S/C6H10O3.C4H8O2/c1(5-3-8-5)7-2-6-4-9-6;5-3-1-2-4-6/h5-6H,1-4H2;1-2,5-6H,3-4H2/b;2-1-
InChIKeyQZVVBDYYJWYCSZ-BTJKTKAUSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds6

About (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87871261) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87871261
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OC/C=C\CO
InChIInChI=1S/C6H10O3.C4H8O2/c1(5-3-8-5)7-2-6-4-9-6;5-3-1-2-4-6/h5-6H,1-4H2;1-2,5-6H,3-4H2/b;2-1-
InChIKeyQZVVBDYYJWYCSZ-BTJKTKAUSA-N
XLogP-0.67
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxiran-2-ylmethoxy)but-2-en-1-ol
CID 91168498
4-(hydroxymethyl)pent-2-ene-1,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173499867
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87871261) is (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.OC/C=C\CO.
What is the InChIKey of (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is QZVVBDYYJWYCSZ-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H10O3.C4H8O2/c1(5-3-8-5)7-2-6-4-9-6;5-3-1-2-4-6/h5-6H,1-4H2;1-2,5-6H,3-4H2/b;2-1-.
What are the key properties of (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 218.25 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87871261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).