tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride

C11H11ClO — CID 23077121

IUPACtricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride
SMILESO=C(Cl)C1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C11H11ClO/c12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-10H,5H2
InChIKeyBURBIWHGLCLELX-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.38
Rot. Bonds1

About tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride

tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride (PubChem CID 23077121) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride
PubChem CID23077121
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Nametricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride
SMILESO=C(Cl)C1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C11H11ClO/c12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-10H,5H2
InChIKeyBURBIWHGLCLELX-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride?
The IUPAC name of tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride (CID 23077121) is tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride is O=C(Cl)C1C=CC2C3C=CC(C3)C12.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride?
The InChIKey is BURBIWHGLCLELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-10H,5H2.
What are the key properties of tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride?
tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride has a molecular weight of 194.66 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride is sourced from PubChem (CID 23077121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).