3-(Hydroxymethyl)-1-Adamantol

• Catalog Number: ACM38584371
• Product Name: 3-(Hydroxymethyl)-1-Adamantol
• CAS: 38584-37-1
• Category: Alcohols
• IUPAC Name: 3-(hydroxymethyl)adamantan-1-ol
• Molecular Weight: 182.26
• Molecular Formula: C11H18O2
• Canonical 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 of 3-(Hydroxymethyl)-1-adamantol is C11H18O2.

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

The molecular weight of 3-(Hydroxymethyl)-1-adamantol is 182.26 g/mol.

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

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

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

The InChI of 3-(Hydroxymethyl)-1-adamantol 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.

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

The InChIKey of 3-(Hydroxymethyl)-1-adamantol is FORAJDRXEYKDFJ-UHFFFAOYSA-N.

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

The canonical SMILES of 3-(Hydroxymethyl)-1-adamantol is C1C2CC3(CC1CC(C2)(C3)O)CO.

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

The CAS number of 3-(Hydroxymethyl)-1-adamantol is 38584-37-1.

What is the European Community (EC) number of 3-(Hydroxymethyl)-1-adamantol?

The European Community (EC) number of 3-(Hydroxymethyl)-1-adamantol is 622-732-5.

What is the XLogP3-AA value of 3-(Hydroxymethyl)-1-adamantol?

The XLogP3-AA value of 3-(Hydroxymethyl)-1-adamantol is 1.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.