(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

C11H15Cl — CID 12950376

IUPAC(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClCC1C[C@@H]2[C@H](C1)[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H15Cl/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h1-2,7-11H,3-6H2/t7?,8-,9+,10-,11+
InChIKeyCYHCKKWYQUQOOH-RALPEPDASA-N
MW182.69 g/mol
LogP3.07
Rot. Bonds1

About (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 12950376) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID12950376
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClCC1C[C@@H]2[C@H](C1)[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H15Cl/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h1-2,7-11H,3-6H2/t7?,8-,9+,10-,11+
InChIKeyCYHCKKWYQUQOOH-RALPEPDASA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
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'}

Analyze (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (CID 12950376) is (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is ClCC1C[C@@H]2[C@H](C1)[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is CYHCKKWYQUQOOH-RALPEPDASA-N. The full InChI is InChI=1S/C11H15Cl/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h1-2,7-11H,3-6H2/t7?,8-,9+,10-,11+.
What are the key properties of (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 182.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 12950376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).