5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene

C11H13Cl — CID 139981766

IUPAC5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene
SMILESClC1C=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H13Cl/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9/h1-4,7-11H,5-6H2
InChIKeyUHPTYKJSYPHIMZ-UHFFFAOYSA-N
MW180.68 g/mol
LogP2.99
Rot. Bonds

About 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene

5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene (PubChem CID 139981766) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene.

Molecular Properties

Compound Name5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene
PubChem CID139981766
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene
SMILESClC1C=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H13Cl/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9/h1-4,7-11H,5-6H2
InChIKeyUHPTYKJSYPHIMZ-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
platinum(2+);tricyclo[5.2.1.02,6]deca-3,8-diene;dibromide
CID 23454665
(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
CID 23270288
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
CID 22138459
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173371153
nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 88698888

Frequently Asked Questions

What is the IUPAC name of 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene?
The IUPAC name of 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene (CID 139981766) is 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene.
What is the SMILES notation for 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene?
The canonical SMILES for 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene is ClC1C=CC2C3C=CC(C3)C2C1.
What is the InChIKey of 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene?
The InChIKey is UHPTYKJSYPHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9/h1-4,7-11H,5-6H2.
What are the key properties of 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene?
5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene has a molecular weight of 180.68 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotricyclo[6.2.1.02,7]undeca-3,9-diene is sourced from PubChem (CID 139981766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).