1,4-Butanediol vinyl ether

• Catalog Number: ACM17832289-1
• Product Name: 1,4-Butanediol vinyl ether
• CAS: 17832-28-9
• Category: Polymer/Macromolecule
• Description: Colorless to yellow liquid
• Synonyms: 4-(Vinyloxy)-1-butanol, 4-Hydroxybutyl vinyl ether, 1,4-Butanediol monovinyl ether, 4-(Ethenyloxy)-1-butanol
• IUPAC Name: 4-ethenoxybutan-1-ol
• Molecular Weight: 116.16
• Molecular Formula: H2C=CHO(CH2)4OH
• Canonical SMILES: OCCCCOC=C
• InChI: 1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
• InChI Key: HMBNQNDUEFFFNZ-UHFFFAOYSA-N
• Boiling Point: 95 °C/20 mmHg (lit.)
• Density: 0.939 g/mL at 25 °C (lit.)
• Application: 1,4-Butanediol vinyl ether is a useful research chemical.
• Assay: 99%
• Complexity: 52.5
• Contains: 0.01% potassium hydroxide as stabilizer
• Covalently-Bonded Unit Count: 1
• EC Number: 241-793-5
• Exact Mass: 116.08373g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 8
• MDL Number: MFCD00080697
• Monoisotopic Mass: 116.08373g/mol
• NACRES: NA.23
• PubChem ID: 24865362
• Quality Level: 200
• Refractive Index: n20/D 1.444 (lit.)
• Rotatable Bond Count: 5
• UNII: 8LGM5RZX0N
• XLogP3: 0.9

Custom Q&A

What is the PubChem CID of 1,4-Butanediol vinyl ether?

PubChem CID 87329.

What is the molecular formula of 1,4-Butanediol vinyl ether?

The molecular formula is C6H12O2.

What is the molecular weight of 1,4-Butanediol vinyl ether?

The molecular weight is 116.16 g/mol.

When was it created and modified?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 1,4-Butanediol vinyl ether?

The IUPAC name is 4-ethenoxybutan-1-ol.

What is the InChI of 1,4-Butanediol vinyl ether?

The InChI is InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2.

What is the InChIKey of 1,4-Butanediol vinyl ether?

The InChIKey is HMBNQNDUEFFFNZ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Butanediol vinyl ether?

The canonical SMILES is C=COCCCCO.

What is the other identifier for 1,4-Butanediol vinyl ether?

The other identifiers include CAS number 17832-28-9, European Community (EC) Number 241-793-5, and UNII 8LGM5RZX0N.

What are some computed properties of 1,4-Butanediol vinyl ether?

Some computed properties include molecular weight (116.16 g/mol), XLogP3-AA (0.9), hydrogen bond donor count (1), hydrogen bond acceptor count (2), rotatable bond count (5), exact mass (116.083729621 g/mol), monoisotopic mass (116.083729621 g/mol), topological polar surface area (29.5Ų), heavy atom count (8), formal charge (0), complexity (52.5), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), and covalently-bonded unit count (1).