2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane

C9H10Cl2 — CID 86253900

IUPAC2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane
SMILESClC1(Cl)C23CCCC24CCC143
InChIInChI=1S/C9H10Cl2/c10-9(11)7-3-1-2-6(7)4-5-8(6,7)9/h1-5H2
InChIKeyDBVNHQAOAXXJAV-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.12
Rot. Bonds

About 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane

2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane (PubChem CID 86253900) has the molecular formula C9H10Cl2 and a molecular weight of 189.08 g/mol. Its IUPAC name is 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane.

Molecular Properties

Compound Name2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane
PubChem CID86253900
Molecular FormulaC9H10Cl2
Molecular Weight189.08 g/mol
Exact Mass188.02
IUPAC Name2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane
SMILESClC1(Cl)C23CCCC24CCC143
InChIInChI=1S/C9H10Cl2/c10-9(11)7-3-1-2-6(7)4-5-8(6,7)9/h1-5H2
InChIKeyDBVNHQAOAXXJAV-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-1-methylcyclotridecane
CID 71082065
platinum;2,2,3,3-tetrachlorocyclohexane-1,1-diamine
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CID 13066177

Frequently Asked Questions

What is the IUPAC name of 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane?
The IUPAC name of 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane (CID 86253900) is 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane.
What is the SMILES notation for 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane?
The canonical SMILES for 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane is ClC1(Cl)C23CCCC24CCC143.
What is the InChIKey of 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane?
The InChIKey is DBVNHQAOAXXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2/c10-9(11)7-3-1-2-6(7)4-5-8(6,7)9/h1-5H2.
What are the key properties of 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane?
2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane has a molecular weight of 189.08 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane is sourced from PubChem (CID 86253900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).