[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane

C16H30Cl2O2 — CID 174162066

IUPAC[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCCOCC(CCC(C)(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C16H30Cl2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3
InChIKeyCLEZXCDTSZBJBQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP5.21
Rot. Bonds9

About [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane

[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane (PubChem CID 174162066) has the molecular formula C16H30Cl2O2 and a molecular weight of 325.32 g/mol. Its IUPAC name is [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane.

Molecular Properties

Compound Name[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
PubChem CID174162066
Molecular FormulaC16H30Cl2O2
Molecular Weight325.32 g/mol
Exact Mass324.16
IUPAC Name[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCCOCC(CCC(C)(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C16H30Cl2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3
InChIKeyCLEZXCDTSZBJBQ-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane 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 [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The IUPAC name of [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane (CID 174162066) is [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane.
What is the SMILES notation for [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The canonical SMILES for [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane is CCOCC(CCC(C)(Cl)Cl)(COC)C1CCCCC1.
What is the InChIKey of [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The InChIKey is CLEZXCDTSZBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Cl2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3.
What are the key properties of [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
[5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane has a molecular weight of 325.32 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane is sourced from PubChem (CID 174162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).