(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene

C12H12Cl2 — CID 124920621

IUPAC(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
SMILESCl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@H]43)[C@H]12
InChIInChI=1S/C12H12Cl2/c13-11-9-7-3-4-8(10(9)12(11)14)6-2-1-5(6)7/h1-12H/t5-,6-,7+,8+,9-,10+,11-,12+/m1/s1
InChIKeyXHVCLSVMXDWLKI-KMFRLLODSA-N
MW227.13 g/mol
LogP3.07
Rot. Bonds

About (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene

(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene (PubChem CID 124920621) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene.

Molecular Properties

Compound Name(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
PubChem CID124920621
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
SMILESCl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@H]43)[C@H]12
InChIInChI=1S/C12H12Cl2/c13-11-9-7-3-4-8(10(9)12(11)14)6-2-1-5(6)7/h1-12H/t5-,6-,7+,8+,9-,10+,11-,12+/m1/s1
InChIKeyXHVCLSVMXDWLKI-KMFRLLODSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene?
The IUPAC name of (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene (CID 124920621) is (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene.
What is the SMILES notation for (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene?
The canonical SMILES for (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene is Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@H]43)[C@H]12.
What is the InChIKey of (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene?
The InChIKey is XHVCLSVMXDWLKI-KMFRLLODSA-N. The full InChI is InChI=1S/C12H12Cl2/c13-11-9-7-3-4-8(10(9)12(11)14)6-2-1-5(6)7/h1-12H/t5-,6-,7+,8+,9-,10+,11-,12+/m1/s1.
What are the key properties of (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene?
(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene has a molecular weight of 227.13 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene is sourced from PubChem (CID 124920621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).