4-Methyl-1-heptyn-3-ol

• CAS: 87777-46-6
• Catalog Number: ACM87777466
• Category: Alkynes
• Molecular Weight: 126.20
• Molecular Formula: C₈H₁₄O
• Synonyms: 4-METHYL-1-HEPTYN-3-OL, 87777-46-6
• IUPAC Name: (3S,4S)-4-methylhept-1-yn-3-ol
• Canonical SMILES: CCCC(C)C(C#C)O
• InChI Key: WONUPNLSAKXVSN-JGVFFNPUSA-N
• Boiling Point: 168.7ºC at 760 mmHg
• Flash Point: 58.7ºC
• Density: 0.884g/cm³
• Exact Mass: 126.10400
• Hazard Statements: H226-H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: UN 3295C 3 / PGIII
• Safety Description: S23-S24/25
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-Methyl-1-heptyn-3-ol?

The molecular formula is C8H14O.

What is the molecular weight of 4-Methyl-1-heptyn-3-ol?

The molecular weight is 126.20 g/mol.

What is the IUPAC name of 4-Methyl-1-heptyn-3-ol?

The IUPAC name is 4-methylhept-1-yn-3-ol.

What is the InChI of 4-Methyl-1-heptyn-3-ol?

The InChI is InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h2,7-9H,4,6H2,1,3H3.

What is the InChIKey of 4-Methyl-1-heptyn-3-ol?

The InChIKey is WONUPNLSAKXVSN-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methyl-1-heptyn-3-ol?

The canonical SMILES is CCCC(C)C(C#C)O.

What is the CAS number of 4-Methyl-1-heptyn-3-ol?

The CAS number is 87777-46-6.

What is the XLogP3-AA value of 4-Methyl-1-heptyn-3-ol?

The XLogP3-AA value is 1.9.

What is the hydrogen bond donor count of 4-Methyl-1-heptyn-3-ol?

The hydrogen bond donor count is 1.

Is 4-Methyl-1-heptyn-3-ol a canonicalized compound?

Yes, it is a canonicalized compound.