5-Methyl-1-hexyn-3-ol

• CAS: 61996-79-0
• Catalog Number: ACM61996790
• Category: Alkynes
• Molecular Weight: 112.17
• Molecular Formula: C₇H₁₂O
• Synonyms: 5-Methyl-1-hexyn-3-ol, 666971_ALDRICH, CID143856, ZINC05227368, 61996-79-0
• IUPAC Name: 5-methylhex-1-yn-3-ol
• Canonical SMILES: CC(C)CC(C#C)O
• InChI Key: NTNUBJHPRAMQPC-UHFFFAOYSA-N
• Boiling Point: 153.8ºC at 760 mmHg
• Flash Point: 50.1ºC
• Density: 0.889 g/cm³
• Appearance: COLORLESS TO YELLOW LIQUID
• Exact Mass: 112.08900
• Hazard Statements: H225-H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: UN 1993C 3 / PGIII
• Safety Description: 16
• Symbol: GHS02

Custom Q&A

What is the PubChem CID of 5-Methyl-1-hexyn-3-ol?

The PubChem CID of 5-Methyl-1-hexyn-3-ol is 143856.

What is the molecular formula of 5-Methyl-1-hexyn-3-ol?

The molecular formula of 5-Methyl-1-hexyn-3-ol is C7H12O.

What is the molecular weight of 5-Methyl-1-hexyn-3-ol?

The molecular weight of 5-Methyl-1-hexyn-3-ol is 112.17 g/mol.

What is the IUPAC name of 5-Methyl-1-hexyn-3-ol?

The IUPAC name of 5-Methyl-1-hexyn-3-ol is 5-methylhex-1-yn-3-ol.

What is the InChI of 5-Methyl-1-hexyn-3-ol?

The InChI of 5-Methyl-1-hexyn-3-ol is InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3.

What is the InChIKey of 5-Methyl-1-hexyn-3-ol?

The InChIKey of 5-Methyl-1-hexyn-3-ol is NTNUBJHPRAMQPC-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Methyl-1-hexyn-3-ol?

The canonical SMILES of 5-Methyl-1-hexyn-3-ol is CC(C)CC(C#C)O.

What is the CAS number of 5-Methyl-1-hexyn-3-ol?

The CAS number of 5-Methyl-1-hexyn-3-ol is 61996-79-0.

What is the XLogP3-AA value of 5-Methyl-1-hexyn-3-ol?

The XLogP3-AA value of 5-Methyl-1-hexyn-3-ol is 1.4.

Is 5-Methyl-1-hexyn-3-ol a canonicalized compound?

Yes, 5-Methyl-1-hexyn-3-ol is a canonicalized compound.