1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene

C10H14Cl2O2 — CID 143930729

IUPAC1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene
SMILESCOCCOC1C(Cl)=CC(C)=CC1Cl
InChIInChI=1S/C10H14Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-3-13-2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyOLZUJZDTDFNZLB-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.71
Rot. Bonds4

About 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene

1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene (PubChem CID 143930729) has the molecular formula C10H14Cl2O2 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene
PubChem CID143930729
Molecular FormulaC10H14Cl2O2
Molecular Weight237.13 g/mol
Exact Mass236.04
IUPAC Name1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene
SMILESCOCCOC1C(Cl)=CC(C)=CC1Cl
InChIInChI=1S/C10H14Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-3-13-2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyOLZUJZDTDFNZLB-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene (CID 143930729) is 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene is COCCOC1C(Cl)=CC(C)=CC1Cl.
What is the InChIKey of 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene?
The InChIKey is OLZUJZDTDFNZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O2/c1-7-5-8(11)10(9(12)6-7)14-4-3-13-2/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene?
1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene has a molecular weight of 237.13 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-6-(2-methoxyethoxy)-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143930729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).