(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene

C11H14 — CID 124560087

IUPAC(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10+,11-/m1/s1
InChIKeyVRLWYYZVFNNMET-NZHYYXIDSA-N
MW146.23 g/mol
LogP2.63
Rot. Bonds

About (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 124560087) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID124560087
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10+,11-/m1/s1
InChIKeyVRLWYYZVFNNMET-NZHYYXIDSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 124560087) is (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene is C[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is VRLWYYZVFNNMET-NZHYYXIDSA-N. The full InChI is InChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10+,11-/m1/s1.
What are the key properties of (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 146.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 124560087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).