2-ethoxybut-2-ene

C6H12O — CID 12664944

IUPAC2-ethoxybut-2-ene
SMILESCC=C(C)OCC
InChIInChI=1S/C6H12O/c1-4-6(3)7-5-2/h4H,5H2,1-3H3
InChIKeyLYVRVCFZVSEJQS-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.95
Rot. Bonds2

About 2-ethoxybut-2-ene

2-ethoxybut-2-ene (PubChem CID 12664944) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-ethoxybut-2-ene.

Molecular Properties

Compound Name2-ethoxybut-2-ene
PubChem CID12664944
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-ethoxybut-2-ene
SMILESCC=C(C)OCC
InChIInChI=1S/C6H12O/c1-4-6(3)7-5-2/h4H,5H2,1-3H3
InChIKeyLYVRVCFZVSEJQS-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybut-2-ene?
The IUPAC name of 2-ethoxybut-2-ene (CID 12664944) is 2-ethoxybut-2-ene.
What is the SMILES notation for 2-ethoxybut-2-ene?
The canonical SMILES for 2-ethoxybut-2-ene is CC=C(C)OCC.
What is the InChIKey of 2-ethoxybut-2-ene?
The InChIKey is LYVRVCFZVSEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(3)7-5-2/h4H,5H2,1-3H3.
What are the key properties of 2-ethoxybut-2-ene?
2-ethoxybut-2-ene has a molecular weight of 100.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybut-2-ene is sourced from PubChem (CID 12664944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).