1,2,3,4,5-pentachloro-6-methylcyclohexane

C7H9Cl5 — CID 23273625

IUPAC1,2,3,4,5-pentachloro-6-methylcyclohexane
SMILESCC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H9Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-7H,1H3
InChIKeyYODAFTPDHFMTHD-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.67
Rot. Bonds

About 1,2,3,4,5-pentachloro-6-methylcyclohexane

1,2,3,4,5-pentachloro-6-methylcyclohexane (PubChem CID 23273625) has the molecular formula C7H9Cl5 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-methylcyclohexane.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-methylcyclohexane
PubChem CID23273625
Molecular FormulaC7H9Cl5
Molecular Weight270.41 g/mol
Exact Mass267.91
IUPAC Name1,2,3,4,5-pentachloro-6-methylcyclohexane
SMILESCC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H9Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-7H,1H3
InChIKeyYODAFTPDHFMTHD-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.67
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 1,2,3,4,5-pentachloro-6-methylcyclohexane?
The IUPAC name of 1,2,3,4,5-pentachloro-6-methylcyclohexane (CID 23273625) is 1,2,3,4,5-pentachloro-6-methylcyclohexane.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-methylcyclohexane?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-methylcyclohexane is CC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-methylcyclohexane?
The InChIKey is YODAFTPDHFMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h2-7H,1H3.
What are the key properties of 1,2,3,4,5-pentachloro-6-methylcyclohexane?
1,2,3,4,5-pentachloro-6-methylcyclohexane has a molecular weight of 270.41 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-methylcyclohexane is sourced from PubChem (CID 23273625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).