(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C10H22O4 — CID 87131635

IUPAC(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC/C=C/C.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H8/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H3/b;4-3+
InChIKeyPBRJTYVETMRTQJ-SCBDLNNBSA-N
MW206.28 g/mol
LogP0.59
Rot. Bonds7

About (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 87131635) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID87131635
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC/C=C/C.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H8/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H3/b;4-3+
InChIKeyPBRJTYVETMRTQJ-SCBDLNNBSA-N
XLogP0.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 87131635) is (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is C/C=C/C.OCCOCCOCCO.
What is the InChIKey of (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is PBRJTYVETMRTQJ-SCBDLNNBSA-N. The full InChI is InChI=1S/C6H14O4.C4H8/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 206.28 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 87131635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).