4-ethoxybut-1-ene

C6H12O — CID 533994

IUPAC4-ethoxybut-1-ene
SMILESC=CCCOCC
InChIInChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3
InChIKeyDKQFBUMLBKKLLP-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds4

About 4-ethoxybut-1-ene

4-ethoxybut-1-ene (PubChem CID 533994) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 4-ethoxybut-1-ene.

Molecular Properties

Compound Name4-ethoxybut-1-ene
PubChem CID533994
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name4-ethoxybut-1-ene
SMILESC=CCCOCC
InChIInChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3
InChIKeyDKQFBUMLBKKLLP-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
1,2-diethoxyethane;ethenamine
CID 160675526
buta-1,3-diene;ethoxyethane
CID 18964357
but-3-enyl(5-ethoxypentyl)boranuide
CID 159872979
ethyl 3-but-3-enoxypropanoate
CID 43174166
1,2-diethoxyethane;ethene
CID 158825770
CID 54571627
CID 54571627
1-ethoxyhept-6-en-3-ylhydrazine
CID 105311649
1-ethenoxy-2-ethoxyethane
CID 14510945
1-ethoxyhept-3-ene
CID 547708
4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
CID 57202172

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybut-1-ene?
The IUPAC name of 4-ethoxybut-1-ene (CID 533994) is 4-ethoxybut-1-ene.
What is the SMILES notation for 4-ethoxybut-1-ene?
The canonical SMILES for 4-ethoxybut-1-ene is C=CCCOCC.
What is the InChIKey of 4-ethoxybut-1-ene?
The InChIKey is DKQFBUMLBKKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 4-ethoxybut-1-ene?
4-ethoxybut-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybut-1-ene is sourced from PubChem (CID 533994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).