3,5,5-Trimethyl-1-Hexanol

• CAS: 3452-97-9
• Catalog Number: ACM3452979
• Category: Alcohols
• Molecular Weight: 144.25
• Molecular Formula: C9H20O
• Synonyms: 3,5,5-TRIMETHYL-N-HEXYL ALCOHOL;3,5,5-TRIMETHYL HEXANOL;3,5,5-TRIMETHYL-1-HEXANOL;FEMA 3324;ISONONANOL;,5,5-Trimethyl n-hexanol;3,5,5-trimethyl-1-hexano;3,5,5-trimethyl-hexan-1-ol
• Canonical SMILES: CC(CCO)CC(C)(C)C
• Boiling Point: 193-194°C(lit.)
• Flash Point: 178°F
• Density: 0.824g/mL at 25°C(lit.)
• Hazard Statements: Xn,N,Xi
• RIDADR: NONH for all modes of transport
• Safety Description: 26-61
• Supplemental Hazard Statements: H315-H319-H373-H411
• Symbol: GHS07,GHS08,GHS09

Custom Q&A

What is the molecular formula of 3,5,5-Trimethyl-1-hexanol?

The molecular formula of 3,5,5-Trimethyl-1-hexanol is C9H20O.

What is the molecular weight of 3,5,5-Trimethyl-1-hexanol?

The molecular weight of 3,5,5-Trimethyl-1-hexanol is 144.25 g/mol.

What is the IUPAC name of 3,5,5-Trimethyl-1-hexanol?

The IUPAC name of 3,5,5-Trimethyl-1-hexanol is 3,5,5-trimethylhexan-1-ol.

What is the Canonical SMILES representation of 3,5,5-Trimethyl-1-hexanol?

The Canonical SMILES representation of 3,5,5-Trimethyl-1-hexanol is CC(CCO)CC(C)(C)C.

How many hydrogen bond donor counts are present in 3,5,5-Trimethyl-1-hexanol?

There is 1 hydrogen bond donor count in 3,5,5-Trimethyl-1-hexanol.

What is the hydrogen bond acceptor count of 3,5,5-Trimethyl-1-hexanol?

The hydrogen bond acceptor count in 3,5,5-Trimethyl-1-hexanol is 1.

How many rotatable bond counts are there in 3,5,5-Trimethyl-1-hexanol?

There are 4 rotatable bond counts in 3,5,5-Trimethyl-1-hexanol.

What is the topological polar surface area of 3,5,5-Trimethyl-1-hexanol?

The topological polar surface area of 3,5,5-Trimethyl-1-hexanol is 20.2 Ų.

How many heavy atoms are present in the structure of 3,5,5-Trimethyl-1-hexanol?

There are 10 heavy atoms in the structure of 3,5,5-Trimethyl-1-hexanol.

What is the complexity value of 3,5,5-Trimethyl-1-hexanol?

The complexity value of 3,5,5-Trimethyl-1-hexanol is 81.2.