1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C12H24O6 — CID 21425842

IUPAC1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESC=CC(C)OC(O)COCCOCCOCCO
InChIInChI=1S/C12H24O6/c1-3-11(2)18-12(14)10-17-9-8-16-7-6-15-5-4-13/h3,11-14H,1,4-10H2,2H3
InChIKeyTXYPRGMGMMOJPZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.06
Rot. Bonds13

About 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 21425842) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID21425842
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESC=CC(C)OC(O)COCCOCCOCCO
InChIInChI=1S/C12H24O6/c1-3-11(2)18-12(14)10-17-9-8-16-7-6-15-5-4-13/h3,11-14H,1,4-10H2,2H3
InChIKeyTXYPRGMGMMOJPZ-UHFFFAOYSA-N
XLogP-0.06
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 21425842) is 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is C=CC(C)OC(O)COCCOCCOCCO.
What is the InChIKey of 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is TXYPRGMGMMOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-3-11(2)18-12(14)10-17-9-8-16-7-6-15-5-4-13/h3,11-14H,1,4-10H2,2H3.
What are the key properties of 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 264.32 g/mol, XLogP of -0.06, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yloxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 21425842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).