1,5-dichlorononane

C9H18Cl2 — CID 57182000

IUPAC1,5-dichlorononane
SMILESCCCCC(Cl)CCCCCl
InChIInChI=1S/C9H18Cl2/c1-2-3-6-9(11)7-4-5-8-10/h9H,2-8H2,1H3
InChIKeyRTPJGHJQWPVIGC-UHFFFAOYSA-N
MW197.15 g/mol
LogP4.19
Rot. Bonds7

About 1,5-dichlorononane

1,5-dichlorononane (PubChem CID 57182000) has the molecular formula C9H18Cl2 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1,5-dichlorononane.

Molecular Properties

Compound Name1,5-dichlorononane
PubChem CID57182000
Molecular FormulaC9H18Cl2
Molecular Weight197.15 g/mol
Exact Mass196.08
IUPAC Name1,5-dichlorononane
SMILESCCCCC(Cl)CCCCCl
InChIInChI=1S/C9H18Cl2/c1-2-3-6-9(11)7-4-5-8-10/h9H,2-8H2,1H3
InChIKeyRTPJGHJQWPVIGC-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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 1,5-dichlorononane?
The IUPAC name of 1,5-dichlorononane (CID 57182000) is 1,5-dichlorononane.
What is the SMILES notation for 1,5-dichlorononane?
The canonical SMILES for 1,5-dichlorononane is CCCCC(Cl)CCCCCl.
What is the InChIKey of 1,5-dichlorononane?
The InChIKey is RTPJGHJQWPVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2/c1-2-3-6-9(11)7-4-5-8-10/h9H,2-8H2,1H3.
What are the key properties of 1,5-dichlorononane?
1,5-dichlorononane has a molecular weight of 197.15 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichlorononane is sourced from PubChem (CID 57182000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).