2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol

C11H22O4 — CID 19986594

IUPAC2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol
SMILESC=C(C)C(C)OCCOCCOCCO
InChIInChI=1S/C11H22O4/c1-10(2)11(3)15-9-8-14-7-6-13-5-4-12/h11-12H,1,4-9H2,2-3H3
InChIKeyCZYOFGPGFPQCKV-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.99
Rot. Bonds10

About 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol

2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol (PubChem CID 19986594) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol
PubChem CID19986594
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol
SMILESC=C(C)C(C)OCCOCCOCCO
InChIInChI=1S/C11H22O4/c1-10(2)11(3)15-9-8-14-7-6-13-5-4-12/h11-12H,1,4-9H2,2-3H3
InChIKeyCZYOFGPGFPQCKV-UHFFFAOYSA-N
XLogP0.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol (CID 19986594) is 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol is C=C(C)C(C)OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol?
The InChIKey is CZYOFGPGFPQCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-10(2)11(3)15-9-8-14-7-6-13-5-4-12/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol has a molecular weight of 218.29 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 19986594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).