Cyclopropylboronic acid pinacol ester

• CAS: 126689-01-8
• Catalog Number: ACM126689018
• Category: Boronic Esters
• Molecular Weight: 168.04g/mol
• Molecular Formula: C9H17BO2
• Synonyms: CYCLOPROPYLBORONIC ACID PINACOL ESTER;2-CYCLOPROPYL-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;2-CYCLOPROPYLBORONIC ACID, PINACOL ESTER;AKOS BRN-0606;2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-;(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane;Cycloprop
• IUPAC Name: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2CC2
• InChI: InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
• InChI Key: XGBMQBPLWXTEPM-UHFFFAOYSA-N
• Complexity: 181
• Covalently-Bonded Unit Count: 1
• Exact Mass: 168.13216g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 168.13216g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Cyclopropylboronic acid pinacol ester?

The molecular formula is C9H17BO2.

What is the molecular weight of Cyclopropylboronic acid pinacol ester?

The molecular weight is 168.04 g/mol.

What are some synonyms for Cyclopropylboronic acid pinacol ester?

Some synonyms include 126689-01-8 Cyclopropylboronic acid pinacol ester, 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and more.

What is the IUPAC name of Cyclopropylboronic acid pinacol ester?

The IUPAC name is 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the InChI of Cyclopropylboronic acid pinacol ester?

The InChI is InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3.

How many hydrogen bond acceptors does Cyclopropylboronic acid pinacol ester have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of Cyclopropylboronic acid pinacol ester?

The topological polar surface area is 18.5Ų.

Does Cyclopropylboronic acid pinacol ester have any defined atom stereocenter count?

No, it has a defined atom stereocenter count of 0.

How many rotatable bond counts does Cyclopropylboronic acid pinacol ester have?

It has 1 rotatable bond count.

Is Cyclopropylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.