1-Dodecyne

• CAS: 765-03-7
• Catalog Number: ACM765037
• Category: Alkynes
• Molecular Weight: 166.30
• Molecular Formula: C₁₂H₂₂
• Synonyms: 1-Dodecyne, 244406_ALDRICH, 1-C12H22, CID69821, EINECS 212-134-9, SBB008732, TL8005228, 765-03-7
• IUPAC Name: dodec-1-yne
• Canonical SMILES: CCCCCCCCCCC#C
• InChI Key: ZVDBUOGYYYNMQI-UHFFFAOYSA-N
• Boiling Point: 215ºC(lit.)
• Melting Point: -19ºC(lit.)
• Flash Point: 175 °F
• Density: 0.778 g/mL at 25ºC(lit.)
• Appearance: clear colorless to light yellow liquid
• EC Number: 212-134-9
• Exact Mass: 166.17200
• Hazard Statements: H226
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S39
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1-Dodecyne?

The molecular formula of 1-Dodecyne is C12H22.

What is the molecular weight of 1-Dodecyne?

The molecular weight of 1-Dodecyne is 166.30 g/mol.

How is the IUPAC name of 1-Dodecyne computed?

The IUPAC name of 1-Dodecyne is computed as dodec-1-yne.

What is the InChI of 1-Dodecyne?

The InChI of 1-Dodecyne is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3.

What is the InChIKey of 1-Dodecyne?

The InChIKey of 1-Dodecyne is ZVDBUOGYYYNMQI-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1-Dodecyne?

The canonical SMILES representation of 1-Dodecyne is CCCCCCCCCCC#C.

What is the CAS number of 1-Dodecyne?

The CAS number of 1-Dodecyne is 765-03-7.

What is the European Community (EC) number of 1-Dodecyne?

The European Community (EC) number of 1-Dodecyne is 212-134-9.

How many rotatable bonds does 1-Dodecyne have?

1-Dodecyne has 8 rotatable bonds.

Is 1-Dodecyne a canonicalized compound?

Yes, 1-Dodecyne is a canonicalized compound.