2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde

C7H6Cl2O — CID 142221757

IUPAC2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde
SMILESO=CC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h2,4H,1,3H2
InChIKeyHAQUADYSPSZLTO-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.59
Rot. Bonds1

About 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde

2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 142221757) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde
PubChem CID142221757
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde
SMILESO=CC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h2,4H,1,3H2
InChIKeyHAQUADYSPSZLTO-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5,7-trichlorocyclohepta-1,4,6-triene-1-carbaldehyde
CID 139324956
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
CID 167701959
5,6-dichlorocyclohexa-1,5-dien-1-ol
CID 21443528
2-chlorocyclohex-2-en-1-one
CID 10866369
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774
2-chloro-3-propylcyclohexa-1,3-diene-1-carbaldehyde
CID 641145
(2E)-2-chlorocyclodec-2-en-1-one
CID 14309806
2-chlorocyclohexa-1,3-diene-1-carbaldehyde
CID 154487641
2-bromo-3-chlorocyclohexa-1,3-diene
CID 18424359
3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
CID 174827968
(1E)-cyclononene-1-carbaldehyde
CID 22647283

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde (CID 142221757) is 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde is O=CC1=C(Cl)CCC=C1Cl.
What is the InChIKey of 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is HAQUADYSPSZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h2,4H,1,3H2.
What are the key properties of 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde?
2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 177.03 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 142221757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).