trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane

C11H10Cl4Sn — CID 10431244

IUPACtrichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane
SMILESCl[C@@H]1[C@H]([Sn](Cl)(Cl)Cl)[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C11H10Cl.3ClH.Sn/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9;;;;/h1-4,6-7,10-11H,5H2;3*1H;/q;;;;+3/p-3/t7-,10-,11+;;;;/m0..../s1
InChIKeyJCXJPKRNKJZBBS-ZTEYXKGHSA-K
MW402.72 g/mol
LogP4.90
Rot. Bonds1

About trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane

trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane (PubChem CID 10431244) has the molecular formula C11H10Cl4Sn and a molecular weight of 402.72 g/mol. Its IUPAC name is trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane.

Molecular Properties

Compound Nametrichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane
PubChem CID10431244
Molecular FormulaC11H10Cl4Sn
Molecular Weight402.72 g/mol
Exact Mass401.86
IUPAC Nametrichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane
SMILESCl[C@@H]1[C@H]([Sn](Cl)(Cl)Cl)[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C11H10Cl.3ClH.Sn/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9;;;;/h1-4,6-7,10-11H,5H2;3*1H;/q;;;;+3/p-3/t7-,10-,11+;;;;/m0..../s1
InChIKeyJCXJPKRNKJZBBS-ZTEYXKGHSA-K
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane?
The IUPAC name of trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane (CID 10431244) is trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane.
What is the SMILES notation for trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane?
The canonical SMILES for trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane is Cl[C@@H]1[C@H]([Sn](Cl)(Cl)Cl)[C@@H]2C[C@H]1c1ccccc12.
What is the InChIKey of trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane?
The InChIKey is JCXJPKRNKJZBBS-ZTEYXKGHSA-K. The full InChI is InChI=1S/C11H10Cl.3ClH.Sn/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9;;;;/h1-4,6-7,10-11H,5H2;3*1H;/q;;;;+3/p-3/t7-,10-,11+;;;;/m0..../s1.
What are the key properties of trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane?
trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane has a molecular weight of 402.72 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane is sourced from PubChem (CID 10431244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).