(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene

C8H10 — CID 12600340

IUPAC(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene
SMILESC1=C[C@H]2C[C@@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyZYVIMZRTFMWLDQ-SOSBWXJGSA-N
MW106.17 g/mol
LogP1.83
Rot. Bonds

About (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene

(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 12600340) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene
PubChem CID12600340
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene
SMILESC1=C[C@H]2C[C@@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyZYVIMZRTFMWLDQ-SOSBWXJGSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.83
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,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene (CID 12600340) is (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene is C1=C[C@H]2C[C@@H]1[C@@H]1C[C@@H]12.
What is the InChIKey of (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is ZYVIMZRTFMWLDQ-SOSBWXJGSA-N. The full InChI is InChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h1-2,5-8H,3-4H2/t5-,6+,7+,8-.
What are the key properties of (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene?
(1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 106.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-tricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 12600340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).