4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol

C12H24O5 — CID 88574268

IUPAC4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
SMILESC=COCCCCO.C=COCCOCCO
InChIInChI=1S/C6H12O3.C6H12O2/c1-2-8-5-6-9-4-3-7;1-2-8-6-4-3-5-7/h2,7H,1,3-6H2;2,7H,1,3-6H2
InChIKeyFCZAMXDFYNEVFT-UHFFFAOYSA-N
MW248.32 g/mol
LogP—
Rot. Bonds11

About 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol

4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol (PubChem CID 88574268) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol.

Molecular Properties

Compound Name4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
PubChem CID88574268
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
SMILESC=COCCCCO.C=COCCOCCO
InChIInChI=1S/C6H12O3.C6H12O2/c1-2-8-5-6-9-4-3-7;1-2-8-6-4-3-5-7/h2,7H,1,3-6H2;2,7H,1,3-6H2
InChIKeyFCZAMXDFYNEVFT-UHFFFAOYSA-N
XLogP—
TPSA68.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity116

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol?
The IUPAC name of 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol (CID 88574268) is 4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol.
What is the SMILES notation for 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol?
The canonical SMILES for 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol is C=COCCCCO.C=COCCOCCO.
What is the InChIKey of 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol?
The InChIKey is FCZAMXDFYNEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C6H12O2/c1-2-8-5-6-9-4-3-7;1-2-8-6-4-3-5-7/h2,7H,1,3-6H2;2,7H,1,3-6H2.
What are the key properties of 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol?
4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol has a molecular weight of 248.32 g/mol, XLogP of not available, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol is sourced from PubChem (CID 88574268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).