2,6-dichloro-4-methoxyheptane

C8H16Cl2O — CID 14173532

IUPAC2,6-dichloro-4-methoxyheptane
SMILESCOC(CC(C)Cl)CC(C)Cl
InChIInChI=1S/C8H16Cl2O/c1-6(9)4-8(11-3)5-7(2)10/h6-8H,4-5H2,1-3H3
InChIKeyRZQOVFIFZKSKEP-UHFFFAOYSA-N
MW199.12 g/mol
LogP3.04
Rot. Bonds5

About 2,6-dichloro-4-methoxyheptane

2,6-dichloro-4-methoxyheptane (PubChem CID 14173532) has the molecular formula C8H16Cl2O and a molecular weight of 199.12 g/mol. Its IUPAC name is 2,6-dichloro-4-methoxyheptane.

Molecular Properties

Compound Name2,6-dichloro-4-methoxyheptane
PubChem CID14173532
Molecular FormulaC8H16Cl2O
Molecular Weight199.12 g/mol
Exact Mass198.06
IUPAC Name2,6-dichloro-4-methoxyheptane
SMILESCOC(CC(C)Cl)CC(C)Cl
InChIInChI=1S/C8H16Cl2O/c1-6(9)4-8(11-3)5-7(2)10/h6-8H,4-5H2,1-3H3
InChIKeyRZQOVFIFZKSKEP-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-methoxyheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methoxyheptane?
The IUPAC name of 2,6-dichloro-4-methoxyheptane (CID 14173532) is 2,6-dichloro-4-methoxyheptane.
What is the SMILES notation for 2,6-dichloro-4-methoxyheptane?
The canonical SMILES for 2,6-dichloro-4-methoxyheptane is COC(CC(C)Cl)CC(C)Cl.
What is the InChIKey of 2,6-dichloro-4-methoxyheptane?
The InChIKey is RZQOVFIFZKSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O/c1-6(9)4-8(11-3)5-7(2)10/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6-dichloro-4-methoxyheptane?
2,6-dichloro-4-methoxyheptane has a molecular weight of 199.12 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methoxyheptane is sourced from PubChem (CID 14173532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).