(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol

C10H20O3 — CID 87839442

IUPAC(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
SMILESC/C=C/COC/C=C/C.OCCO
InChIInChI=1S/C8H14O.C2H6O2/c1-3-5-7-9-8-6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;
InChIKeyGUYMFQHKYQYNSF-WEUBHIEESA-N
MW188.27 g/mol
LogP1.13
Rot. Bonds5

About (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol

(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol (PubChem CID 87839442) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol.

Molecular Properties

Compound Name(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
PubChem CID87839442
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
SMILESC/C=C/COC/C=C/C.OCCO
InChIInChI=1S/C8H14O.C2H6O2/c1-3-5-7-9-8-6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;
InChIKeyGUYMFQHKYQYNSF-WEUBHIEESA-N
XLogP1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-but-2-enoxybut-2-en-1-ol
CID 76540479
1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
1,6-bis(but-2-enoxy)hexane
CID 173425920
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
CID 173393097
3-[(E)-but-2-enoxy]propanamide
CID 62276924
(E)-1-(2,2,2-trifluoroethoxy)but-2-ene
CID 102170359
1-but-2-enoxybutane
CID 543904
1-[(E)-but-2-enoxy]pentan-3-one
CID 166515002
1-but-2-enoxy-3,4-dimethylhexan-2-one
CID 76672886

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol?
The IUPAC name of (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol (CID 87839442) is (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol.
What is the SMILES notation for (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol?
The canonical SMILES for (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol is C/C=C/COC/C=C/C.OCCO.
What is the InChIKey of (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol?
The InChIKey is GUYMFQHKYQYNSF-WEUBHIEESA-N. The full InChI is InChI=1S/C8H14O.C2H6O2/c1-3-5-7-9-8-6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;.
What are the key properties of (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol?
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol is sourced from PubChem (CID 87839442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).