1,1-dichlorononane

C9H18Cl2 — CID 13189

IUPAC1,1-dichlorononane
SMILESCCCCCCCCC(Cl)Cl
InChIInChI=1S/C9H18Cl2/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-8H2,1H3
InChIKeyFBTKIMWGAQACHU-UHFFFAOYSA-N
MW197.15 g/mol
LogP4.54
Rot. Bonds7

About 1,1-dichlorononane

1,1-dichlorononane (PubChem CID 13189) has the molecular formula C9H18Cl2 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1,1-dichlorononane.

Molecular Properties

Compound Name1,1-dichlorononane
PubChem CID13189
Molecular FormulaC9H18Cl2
Molecular Weight197.15 g/mol
Exact Mass196.08
IUPAC Name1,1-dichlorononane
SMILESCCCCCCCCC(Cl)Cl
InChIInChI=1S/C9H18Cl2/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-8H2,1H3
InChIKeyFBTKIMWGAQACHU-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorononane?
The IUPAC name of 1,1-dichlorononane (CID 13189) is 1,1-dichlorononane.
What is the SMILES notation for 1,1-dichlorononane?
The canonical SMILES for 1,1-dichlorononane is CCCCCCCCC(Cl)Cl.
What is the InChIKey of 1,1-dichlorononane?
The InChIKey is FBTKIMWGAQACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-8H2,1H3.
What are the key properties of 1,1-dichlorononane?
1,1-dichlorononane has a molecular weight of 197.15 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorononane is sourced from PubChem (CID 13189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).