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

C12H26O5 — CID 87222109

IUPACbuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
SMILESC=CC=C.COC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6.C2H6O/c7-1-3-9-5-6-10-4-2-8;1-3-4-2;1-3-2/h7-8H,1-6H2;3-4H,1-2H2;1-2H3
InChIKeyZUIGVGOJVCMNAY-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.63
Rot. Bonds8

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

buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane (PubChem CID 87222109) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane.

Molecular Properties

Compound Namebuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
PubChem CID87222109
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Namebuta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
SMILESC=CC=C.COC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6.C2H6O/c7-1-3-9-5-6-10-4-2-8;1-3-4-2;1-3-2/h7-8H,1-6H2;3-4H,1-2H2;1-2H3
InChIKeyZUIGVGOJVCMNAY-UHFFFAOYSA-N
XLogP0.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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;methoxymethane?
The IUPAC name of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane (CID 87222109) is buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane.
What is the SMILES notation for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane?
The canonical SMILES for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane is C=CC=C.COC.OCCOCCOCCO.
What is the InChIKey of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane?
The InChIKey is ZUIGVGOJVCMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H6.C2H6O/c7-1-3-9-5-6-10-4-2-8;1-3-4-2;1-3-2/h7-8H,1-6H2;3-4H,1-2H2;1-2H3.
What are the key properties of buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane?
buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane has a molecular weight of 250.33 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane is sourced from PubChem (CID 87222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).