3,5,7-trichlorononane

C9H17Cl3 — CID 86070462

IUPAC3,5,7-trichlorononane
SMILESCCC(Cl)CC(Cl)CC(Cl)CC
InChIInChI=1S/C9H17Cl3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-9H,3-6H2,1-2H3
InChIKeyKYFYCKRDDGOXSI-UHFFFAOYSA-N
MW231.59 g/mol
LogP4.41
Rot. Bonds6

About 3,5,7-trichlorononane

3,5,7-trichlorononane (PubChem CID 86070462) has the molecular formula C9H17Cl3 and a molecular weight of 231.59 g/mol. Its IUPAC name is 3,5,7-trichlorononane.

Molecular Properties

Compound Name3,5,7-trichlorononane
PubChem CID86070462
Molecular FormulaC9H17Cl3
Molecular Weight231.59 g/mol
Exact Mass230.04
IUPAC Name3,5,7-trichlorononane
SMILESCCC(Cl)CC(Cl)CC(Cl)CC
InChIInChI=1S/C9H17Cl3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-9H,3-6H2,1-2H3
InChIKeyKYFYCKRDDGOXSI-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trichlorononane?
The IUPAC name of 3,5,7-trichlorononane (CID 86070462) is 3,5,7-trichlorononane.
What is the SMILES notation for 3,5,7-trichlorononane?
The canonical SMILES for 3,5,7-trichlorononane is CCC(Cl)CC(Cl)CC(Cl)CC.
What is the InChIKey of 3,5,7-trichlorononane?
The InChIKey is KYFYCKRDDGOXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,5,7-trichlorononane?
3,5,7-trichlorononane has a molecular weight of 231.59 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trichlorononane is sourced from PubChem (CID 86070462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).