(1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate

• Catalog Number: ACMA00002422
• Category: Ethers
• Molecular Weight: 231.29
• Molecular Formula: C₁₄H₁₅NO
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of (1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate?

The molecular formula is C14H17NO2.

When was the compound created and last modified according to the reference?

The compound was created on November 9, 2006, and last modified on November 25, 2023.

What is the molecular weight of (1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate?

The molecular weight is 231.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [(1S,2S)-2-isocyanatocyclohexyl]oxymethylbenzene.

What is the InChI code for (1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate?

The InChI code is InChI=1S/C14H17NO2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1.

How many hydrogen bond acceptor counts are in the compound?

There are 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of (1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate?

The XLogP3-AA value is 3.6.

What is the topological polar surface area of the compound?

The topological polar surface area is 38.7Ų.

How many rotatable bond counts are in (1S,2S)-(+)-2-Benzyloxycyclohexyl isocyanate?

There are 4 rotatable bond counts.

Is the compound canonicalized according to the reference?

Yes, the compound is canonicalized.