12-Crown-4

Catalog Number	ACM294939-2
CAS	294-93-9
Structure
Synonyms	1,4,7,10-Tetraoxacyclododecane
IUPAC Name	1,4,7,10-tetraoxacyclododecane
Molecular Weight	176.21
Molecular Formula	C8H16O4
InChI	XQQZRZQVBFHBHL-UHFFFAOYSA-N
InChI Key	InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
Boiling Point	254.9 °C at 760 mmHg
Melting Point	16 °C (lit.)
Flash Point	>230°F
Purity	98%
Density	1.089 g/cm3 at 25 °C
Appearance	Colourless viscous liquid
Isomeric SMILES	C1COCCOCCOCCO1

Q&A

What is the molecular formula of 12-Crown-4?

The molecular formula of 12-Crown-4 is C8H16O4.

When was 12-Crown-4 created?

12-Crown-4 was created on September 16, 2004.

Is 12-Crown-4 a crown ether?

Yes, 12-Crown-4 is a crown ether.

What is the molecular weight of 12-Crown-4?

The molecular weight of 12-Crown-4 is 176.21 g/mol.

What is the IUPAC name of 12-Crown-4?

The IUPAC name of 12-Crown-4 is 1,4,7,10-tetraoxacyclododecane.

How many hydrogen bond acceptor counts does 12-Crown-4 have?

12-Crown-4 has 4 hydrogen bond acceptor counts.

What is the InChIKey of 12-Crown-4?

The InChIKey of 12-Crown-4 is XQQZRZQVBFHBHL-UHFFFAOYSA-N.

How many oxygen atoms are present in the structure of 12-Crown-4?

12-Crown-4 has 4 oxygen atoms in its structure.

What is the Canonical SMILES of 12-Crown-4?

The Canonical SMILES of 12-Crown-4 is C1COCCOCCOCCO1.

What is the topological polar surface area of 12-Crown-4?

The topological polar surface area of 12-Crown-4 is 36.9 Ų.