3-(Hydroxymethyl)-1-Adamantol

• CAS: 38584-37-1
• Catalog Number: ACM38584371
• Category: Alcohols
• Molecular Weight: 182.26
• Molecular Formula: C11H18O2
• IUPAC Name: 3-(hydroxymethyl)adamantan-1-ol
• SMILES: C1C2CC3(CC1CC(C2)(C3)O)CO
• InChI: InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2
• InChI Key: FORAJDRXEYKDFJ-UHFFFAOYSA-N
• Appearance: Powder or crystalline or crystalline powder or chunks
• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Exact Mass: 182.13068g/mol
• Formal Charge: 0
• Hazard Statements: H319
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 182.13068g/mol
• RIDADR: UN 3077 9 / PGIII
• Rotatable Bond Count: 1
• Symbol: GHS07
• XLogP3: 1

Custom Q&A

What is the molecular formula of 3-(Hydroxymethyl)-1-adamantol?

The molecular formula is C11H18O2.

What is the molecular weight of 3-(Hydroxymethyl)-1-adamantol?

The molecular weight is 182.26 g/mol.

What is the IUPAC name of 3-(Hydroxymethyl)-1-adamantol?

The IUPAC name is 3-(hydroxymethyl)adamantan-1-ol.

What is the InChI of 3-(Hydroxymethyl)-1-adamantol?

The InChI is InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2.

Does 3-(Hydroxymethyl)-1-adamantol have a Canonical SMILES representation?

Yes, the Canonical SMILES is C1C2CC3(CC1CC(C2)(C3)O).

What is the chemical structure of 3-(Hydroxymethyl)-1-adamantol?

The chemical structure is a hydroxymethyl group attached to an adamantane ring.

How many hydrogen bond donor counts does 3-(Hydroxymethyl)-1-adamantol have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 3-(Hydroxymethyl)-1-adamantol?

The topological polar surface area is 40.5 Ų.

Is 3-(Hydroxymethyl)-1-adamantol a covalently-bonded unit?

Yes, it is a covalently-bonded unit.

What is the formal charge of 3-(Hydroxymethyl)-1-adamantol?

The formal charge is 0.