2-Ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene

• Catalog Number: ACMA00002694
• Category: Ethers
• Molecular Weight: 256.34
• Molecular Formula: C₁₇H₁₆O₅
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 2-Ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene?

The molecular formula is C17H20O2.

When was the compound created and last modified?

The compound was created on 2005-07-28 and last modified on 2023-11-25.

What is the IUPAC name of the compound?

The IUPAC name is 2-ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromene.

What is the InChIKey of the compound?

The InChIKey is XJYIHLZPVJZAOI-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1(C2CCC(OC2C3=CC=CC=C3O1)(C)C#C)C.

What is the molecular weight of the compound?

The molecular weight is 256.34 g/mol.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 18.5Ų.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.