2,6-dichloro-1-ethoxycyclohexa-1,3-diene

C8H10Cl2O — CID 134403592

IUPAC2,6-dichloro-1-ethoxycyclohexa-1,3-diene
SMILESCCOC1=C(Cl)C=CCC1Cl
InChIInChI=1S/C8H10Cl2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-4,7H,2,5H2,1H3
InChIKeyHXRJVELLKAZXAC-UHFFFAOYSA-N
MW193.07 g/mol
LogP3.04
Rot. Bonds2

About 2,6-dichloro-1-ethoxycyclohexa-1,3-diene

2,6-dichloro-1-ethoxycyclohexa-1,3-diene (PubChem CID 134403592) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 2,6-dichloro-1-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-dichloro-1-ethoxycyclohexa-1,3-diene
PubChem CID134403592
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name2,6-dichloro-1-ethoxycyclohexa-1,3-diene
SMILESCCOC1=C(Cl)C=CCC1Cl
InChIInChI=1S/C8H10Cl2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-4,7H,2,5H2,1H3
InChIKeyHXRJVELLKAZXAC-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-dichloro-1-ethoxycyclohexa-1,3-diene?
The IUPAC name of 2,6-dichloro-1-ethoxycyclohexa-1,3-diene (CID 134403592) is 2,6-dichloro-1-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 2,6-dichloro-1-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 2,6-dichloro-1-ethoxycyclohexa-1,3-diene is CCOC1=C(Cl)C=CCC1Cl.
What is the InChIKey of 2,6-dichloro-1-ethoxycyclohexa-1,3-diene?
The InChIKey is HXRJVELLKAZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-4,7H,2,5H2,1H3.
What are the key properties of 2,6-dichloro-1-ethoxycyclohexa-1,3-diene?
2,6-dichloro-1-ethoxycyclohexa-1,3-diene has a molecular weight of 193.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 134403592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).