1-Iodooctane

• CAS: 629-27-6
• Catalog Number: ACM629276
• Category: Alkyl
• Molecular Weight: 240.12g/mol
• Molecular Formula: C8H17I
• IUPAC Name: 1-iodooctane
• Canonical SMILES: CCCCCCCCI
• InChI: InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
• InChI Key: UWLHSHAHTBJTBA-UHFFFAOYSA-N
• Boiling Point: 225.5 °C
• Melting Point: -45.7 °C
• Complexity: 43.8
• Covalently-Bonded Unit Count: 1
• EC Number: 211-084-5
• Exact Mass: 240.0375g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 240.0375g/mol
• RIDADR: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
• Rotatable Bond Count: 6
• Symbol: GHS07
• Vapor Pressure: 0.25 mmHg
• XLogP3: 5.2

Custom Q&A

What is the PubChem CID for 1-Iodooctane?

PubChem CID 12380.

What is the molecular formula of 1-Iodooctane?

The molecular formula is C8H17I.

What is the molecular weight of 1-Iodooctane?

The molecular weight is 240.12 g/mol.

What is the IUPAC name of 1-Iodooctane?

The IUPAC name is 1-iodooctane.

What is the InChI of 1-Iodooctane?

The InChI is InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3.

What is the InChIKey of 1-Iodooctane?

The InChIKey is UWLHSHAHTBJTBA-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Iodooctane?

The canonical SMILES is CCCCCCCCI.

What is the CAS number of 1-Iodooctane?

The CAS number is 629-27-6.

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

The European Community (EC) number is 211-084-5.

Is 1-Iodooctane a canonicalized compound in PubChem?

Yes, 1-Iodooctane is a canonicalized compound in PubChem.