buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C10H20O4 — CID 22990426

IUPACbuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC=CC=C.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H2
InChIKeyPDBBGETZJGRYLJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.36
Rot. Bonds8

About buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 22990426) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Namebuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID22990426
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namebuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC=CC=C.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H2
InChIKeyPDBBGETZJGRYLJ-UHFFFAOYSA-N
XLogP0.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 22990426) is buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is C=CC=C.OCCOCCOCCO.
What is the InChIKey of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is PDBBGETZJGRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H6/c7-1-3-9-5-6-10-4-2-8;1-3-4-2/h7-8H,1-6H2;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 204.27 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 22990426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).