(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol

C10H16O2 — CID 124916176

IUPAC(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol
SMILESO[C@H]1C[C@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@H](O)C1
InChIInChI=1S/C10H16O2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2/t5-,6-,7-,8+,9+,10-/m1/s1
InChIKeyCHKGQWQNECUXJI-DHRMIASJSA-N
MW168.24 g/mol
LogP0.77
Rot. Bonds

About (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol

(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol (PubChem CID 124916176) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol.

Molecular Properties

Compound Name(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol
PubChem CID124916176
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol
SMILESO[C@H]1C[C@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@H](O)C1
InChIInChI=1S/C10H16O2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2/t5-,6-,7-,8+,9+,10-/m1/s1
InChIKeyCHKGQWQNECUXJI-DHRMIASJSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol?
The IUPAC name of (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol (CID 124916176) is (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol.
What is the SMILES notation for (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol?
The canonical SMILES for (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol is O[C@H]1C[C@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@H](O)C1.
What is the InChIKey of (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol?
The InChIKey is CHKGQWQNECUXJI-DHRMIASJSA-N. The full InChI is InChI=1S/C10H16O2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2/t5-,6-,7-,8+,9+,10-/m1/s1.
What are the key properties of (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol?
(1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol has a molecular weight of 168.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6S,7S,8R)-tricyclo[5.2.1.02,6]decane-4,8-diol is sourced from PubChem (CID 124916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).